General Information of the Compound
| Compound ID |
CP0566727
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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]-methylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C25H25F3N2O5
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| Molecular Weight |
490.478
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| Canonical SMILES |
CN([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/C25H25F3N2O5/c1-29(21(31)13-14-22(32)33)23-17-5-2-3-7-19(17)30(20-8-4-6-18(20)23)24(34)15-9-11-16(12-10-15)35-25(26,27)28/h2-3,5,7,9-12,18,20,23H,4,6,8,13-14H2,1H3,(H,32,33)/t18-,20-,23-/m0/s1
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| InChIKey |
JKPCHHDKBOUMPX-LEDOBFOHSA-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