General Information of the Compound
| Compound ID |
CP0541449
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| Compound Name |
4-[[(3aS,9R,9aR)-7-(hydroxymethyl)-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 |
C28H29F3N2O6
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| Molecular Weight |
546.542
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| Canonical SMILES |
OCc1ccc2N([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/C28H29F3N2O6/c29-28(30,31)39-19-9-5-17(6-10-19)27(38)33-22-3-1-2-20(22)26(21-14-16(15-34)4-11-23(21)33)32(18-7-8-18)24(35)12-13-25(36)37/h4-6,9-11,14,18,20,22,26,34H,1-3,7-8,12-13,15H2,(H,36,37)/t20-,22+,26-/m1/s1
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| InChIKey |
CJFLVYZNVDWEOS-LIXHSBQKSA-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