Chemical Components in the PDB

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MVZ : Summary

Code

MVZ

One-letter code

X

Molecule name

5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine

Formula

C12 H10 Br Cl N4

Formal charge

0

Molecular weight

325.592 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br
Canonical SMILES CACTVS 3.385 Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br

IUPAC InChI

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

NKEWJSANHAKFDR-UHFFFAOYSA-N
MVZ

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-25

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned