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P77 : Summary
Code ![](/pdbe/static/images/help.png)
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P77
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C20 H24 Cl N3 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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373.943 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4 |
SMILES
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CACTVS |
3.370 |
CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl |
Canonical SMILES
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CACTVS |
3.370 |
CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WIKYUJGCLQQFNW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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49 (25 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2010-03-10
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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