General Information of the Compound
| Compound ID |
CP0035039
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| Compound Name |
(1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)propanamido)bicyclo[5.1.0]octane-8-carboxamide
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| Formula |
C23H32F3N5O2
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| Molecular Weight |
467.536
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| Canonical SMILES |
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O
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| InChI |
InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+
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| InChIKey |
OJTRJEAMMHBCDD-VVXSQCBMSA-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