General Information of the Compound
| Compound ID |
CP0913201
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| Compound Name |
(S)-4-(2-(2-(3-methylcyclohexylidene)hydrazinyl)thiazol-4-yl)benzonitrile
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| Structure |
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| Formula |
C17H18N4S
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| Molecular Weight |
310.426
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| Canonical SMILES |
C[C@H]1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1
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| InChI |
InChI=1S/C17H18N4S/c1-12-3-2-4-15(9-12)20-21-17-19-16(11-22-17)14-7-5-13(10-18)6-8-14/h5-8,11-12H,2-4,9H2,1H3,(H,19,21)/b20-15-/t12-/m0/s1
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| InChIKey |
PHRXHZRDJNSXDF-BMOWLENRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B