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SCW : Summary
Code ![](/pdbe/static/images/help.png)
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SCW
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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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3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
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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 H14 Br N5
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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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380.241 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 |
Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4 |
SMILES
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CACTVS |
3.341 |
Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 |
Canonical SMILES
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CACTVS |
3.341 |
Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LZLKFNBMXXLTLX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (24 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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2007-09-20
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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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