General Information of the Compound
| Compound ID |
CP0465980
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| Compound Name |
4-[[(3aS,9R,9aR)-7-(4-fluorophenyl)-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C33H30F4N2O5
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| Molecular Weight |
610.604
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)[C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H30F4N2O5/c34-22-9-4-19(5-10-22)21-8-15-28-26(18-21)31(38(23-11-12-23)29(40)16-17-30(41)42)25-2-1-3-27(25)39(28)32(43)20-6-13-24(14-7-20)44-33(35,36)37/h4-10,13-15,18,23,25,27,31H,1-3,11-12,16-17H2,(H,41,42)/t25-,27+,31-/m1/s1
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| InChIKey |
GJMKLVMUZOHXST-YHZWXPKMSA-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