General Information of the Compound
| Compound ID |
CP0516004
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| Compound Name |
4-[[(3aS,9R,9aR)-7-(difluoromethyl)-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 |
C28H27F5N2O5
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| Molecular Weight |
566.523
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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)C(F)F
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| InChI |
InChI=1S/C28H27F5N2O5/c29-26(30)16-6-11-22-20(14-16)25(34(17-7-8-17)23(36)12-13-24(37)38)19-2-1-3-21(19)35(22)27(39)15-4-9-18(10-5-15)40-28(31,32)33/h4-6,9-11,14,17,19,21,25-26H,1-3,7-8,12-13H2,(H,37,38)/t19-,21+,25-/m1/s1
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| InChIKey |
WLLHLVHRBAXWRA-FZOAFFARSA-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