General Information of the Compound
| Compound ID |
CP0538572
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| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-[methyl(1,3-thiazol-2-yl)amino]-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H42N6O4S
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| Molecular Weight |
594.782
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)N(C)c1nccs1
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| InChI |
InChI=1S/C31H42N6O4S/c1-35(31-32-15-19-42-31)28(38)20-22(14-18-36-16-7-4-8-17-36)33-30(39)24-21-25(37(34-24)23-10-5-6-11-23)29-26(40-2)12-9-13-27(29)41-3/h9,12-13,15,19,21-23H,4-8,10-11,14,16-18,20H2,1-3H3,(H,33,39)/t22-/m0/s1
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| InChIKey |
XNCVMMFOAPRGAT-QFIPXVFZSA-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