General Information of the Compound
| Compound ID |
CP0444399
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| Compound Name |
2-[[(3aS,9R,9aR)-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylcarbamoyl]benzoic acid
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| Structure |
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| Formula |
C31H27F3N2O5
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| Molecular Weight |
564.56
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| Canonical SMILES |
OC(=O)c1ccccc1C(=O)N(C1CC1)[C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C31H27F3N2O5/c32-31(33,34)41-20-16-12-18(13-17-20)28(37)36-25-10-4-3-8-23(25)27(24-9-5-11-26(24)36)35(19-14-15-19)29(38)21-6-1-2-7-22(21)30(39)40/h1-4,6-8,10,12-13,16-17,19,24,26-27H,5,9,11,14-15H2,(H,39,40)/t24-,26+,27+/m1/s1
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| InChIKey |
NGIVYGFDOCFIIF-STXQHDJLSA-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