General Information of the Compound
| Compound ID |
CP0871525
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| Compound Name |
Trans-2-Chloro-N-[4-(6-methoxy-3,3-dimethyl-2-oxo-2,3-dihydro-pyrrolo[3,2-c]pyridin-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C25H27ClF3N3O3
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| Molecular Weight |
509.956
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| Canonical SMILES |
COc1cc2c(cn1)C(C)(C)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
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| InChI |
InChI=1S/C25H27ClF3N3O3/c1-24(2)18-12-30-21(35-3)11-20(18)32(23(24)34)13-14-4-7-16(8-5-14)31-22(33)17-10-15(25(27,28)29)6-9-19(17)26/h6,9-12,14,16H,4-5,7-8,13H2,1-3H3,(H,31,33)/t14-,16-
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| InChIKey |
IPXXNSZXAOVJSJ-KOMQPUFPSA-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