General Information of the Compound
| Compound ID |
CP0536077
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2C1
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| InChI |
InChI=1S/C26H30N4O2/c31-25-9-4-2-7-23(25)28-26(32)21-16-20-6-1-3-8-24(20)29(18-21)17-19-10-12-22(13-11-19)30-15-5-14-27-30/h1,3,5-6,8,10-15,21,23,25,31H,2,4,7,9,16-18H2,(H,28,32)/t21?,23-,25-/m0/s1
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| InChIKey |
VXOUBYZFEWVLOA-XIAJTGEISA-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