General Information of the Compound
| Compound ID |
CP0046007
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| Compound Name |
(3r,8r)-8-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)propanamido)bicyclo[3.2.1]octane-3-carboxylic acid
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| Formula |
C23H31F3N4O3
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| Molecular Weight |
468.52
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| Canonical SMILES |
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O
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| InChI |
InChI=1S/C23H31F3N4O3/c1-22(2,21(33)28-19-14-3-4-15(19)12-16(11-14)20(31)32)30-9-7-29(8-10-30)18-6-5-17(13-27-18)23(24,25)26/h5-6,13-16,19H,3-4,7-12H2,1-2H3,(H,28,33)(H,31,32)/t14?,15?,16-,19-
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| InChIKey |
XJQAEHQNLAKSQM-MUZLMXHHSA-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