Chemical Components in the PDB

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W7V : Summary

Code

W7V

One-letter code

X

Molecule name

(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
OpenEye OEToolkits 2.0.7 (5~{R})-~{N}-methyl-~{N}-(1~{H}-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide

Formula

C11 H15 N3 O

Formal charge

0

Molecular weight

205.256 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1CCC3C1(C(N(C)c2cnnc2)=O)C3
SMILES CACTVS 3.385 CN(C(=O)[C]12CCC[CH]1C2)c3c[nH]nc3
SMILES OpenEye OEToolkits 2.0.7 CN(c1c[nH]nc1)C(=O)C23CCCC2C3
Canonical SMILES CACTVS 3.385 CN(C(=O)[C@@]12CCC[C@@H]1C2)c3c[nH]nc3
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3

IUPAC InChI

InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1

IUPAC InChI key

KPSCQDHJPNEXSJ-LDYMZIIASA-N
W7V

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-29

Last modified at

2020-12-11

Status

Released

Obsoleted

Not Assigned