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CLQ : Summary
Code ![](/pdbe/static/images/help.png)
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CLQ
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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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N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE
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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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C18 H26 Cl N3
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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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319.872 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 |
10.04 |
Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC |
SMILES
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CACTVS |
3.341 |
CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl |
Canonical SMILES
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CACTVS |
3.341 |
CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WHTVZRBIWZFKQO-CQSZACIVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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48 (22 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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