General Information of the Compound
| Compound ID |
CP0955279
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| Compound Name |
(S)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-(4-(piperidin-1-yl)-1-(4H-1,2,4-triazol-3-yl)butan-2-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H39N7O3
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| Molecular Weight |
521.666
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)Cc2nnc[nH]2)nn1C1CCCC1
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| InChI |
InChI=1S/C28H39N7O3/c1-37-24-11-8-12-25(38-2)27(24)23-18-22(33-35(23)21-9-4-5-10-21)28(36)31-20(17-26-29-19-30-32-26)13-16-34-14-6-3-7-15-34/h8,11-12,18-21H,3-7,9-10,13-17H2,1-2H3,(H,31,36)(H,29,30,32)/t20-/m0/s1
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| InChIKey |
PEULKBWQZVUUKD-FQEVSTJZSA-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