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- ChemComp-Z30: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide -

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Basic information

EntryDatabase: PDB chemical components / ID: Z30
NameName: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

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Chemical information

Composition
Formula: C12H20N4O / Number of atoms: 37 / Formula weight: 236.313 / Formal charge: 0
Others

3r8l

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z30 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R8L
History
Create componentMar 25, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN
CACTVS 3.370CC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1
OpenEye OEToolkits 1.7.0CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1

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SMILES CANONICAL

CACTVS 3.370CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
OpenEye OEToolkits 1.7.0CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1

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InChI

InChI 1.03InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1

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InChIKey

InChI 1.03WPAHESSOUBKEIY-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
OpenEye OEToolkits 1.7.0(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

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PDB entries

Showing all 1 items

PDB-3r8l:
CDK2 in complex with inhibitor L3-4

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