General Information of the Compound
| Compound ID |
CP0566733
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| Compound Name |
4-[[(3aS,9R,9aR)-7-pyrimidin-5-yl-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 |
C31H29F3N4O5
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| Molecular Weight |
594.59
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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)-c1cncnc1
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| InChI |
InChI=1S/C31H29F3N4O5/c32-31(33,34)43-22-9-4-18(5-10-22)30(42)38-25-3-1-2-23(25)29(37(21-7-8-21)27(39)12-13-28(40)41)24-14-19(6-11-26(24)38)20-15-35-17-36-16-20/h4-6,9-11,14-17,21,23,25,29H,1-3,7-8,12-13H2,(H,40,41)/t23-,25+,29-/m1/s1
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| InChIKey |
QCPVCOMCRAKACA-OBZNHSRCSA-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