General Information of the Compound
| Compound ID |
CP0566732
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| Compound Name |
4-[[(3aS,9R,9aR)-7-ethyl-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 |
C29H31F3N2O5
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| Molecular Weight |
544.57
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| Canonical SMILES |
CCc1ccc2N([C@H]3CCC[C@H]3[C@@H](N(C3CC3)C(=O)CCC(O)=O)c2c1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H31F3N2O5/c1-2-17-6-13-24-22(16-17)27(33(19-9-10-19)25(35)14-15-26(36)37)21-4-3-5-23(21)34(24)28(38)18-7-11-20(12-8-18)39-29(30,31)32/h6-8,11-13,16,19,21,23,27H,2-5,9-10,14-15H2,1H3,(H,36,37)/t21-,23+,27-/m1/s1
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| InChIKey |
ZJTRNXKAZICCLV-MRCUYLHHSA-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