General Information of the Compound
| Compound ID |
CP0574977
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| Compound Name |
4-[[(3aS,9R,9aS)-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-propan-2-ylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C27H29F3N2O5
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| Molecular Weight |
518.532
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| Canonical SMILES |
CC(C)N([C@@H]1[C@H]2CCC[C@@H]2N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)CCC(O)=O
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| InChI |
InChI=1S/C27H29F3N2O5/c1-16(2)31(23(33)14-15-24(34)35)25-19-6-3-4-8-21(19)32(22-9-5-7-20(22)25)26(36)17-10-12-18(13-11-17)37-27(28,29)30/h3-4,6,8,10-13,16,20,22,25H,5,7,9,14-15H2,1-2H3,(H,34,35)/t20-,22-,25-/m0/s1
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| InChIKey |
DGBINMQCHLVMAO-XTJBDQBJSA-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