General Information of the Compound
| Compound ID |
CP0118230
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| Compound Name |
(3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)propanamido)bicyclo[3.3.1]nonane-3-carboxylic acid
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| Formula |
C24H33F3N4O3
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| Molecular Weight |
482.547
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| Canonical SMILES |
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O
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| InChI |
InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20-
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| InChIKey |
JBFDKOOTXBMPAU-MXYWLUFOSA-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