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MVZ : Summary
Code ![](/pdbe/static/images/help.png)
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MVZ
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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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5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-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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C12 H10 Br Cl N4
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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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325.592 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NKEWJSANHAKFDR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (18 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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2019-10-25
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-28
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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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