General Information of the Compound
| Compound ID |
CP0543514
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| Compound Name |
(2E)-4-cyclopropyl-2-[[5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]methylidene]butanoic acid
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| Structure |
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| Formula |
C33H37F3N2O5
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| Molecular Weight |
598.662
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| Canonical SMILES |
COc1cc(nc2ccc(COc3ccc(OCC4CCN(C)CC4)c(\C=C(/CCC4CC4)C(O)=O)c3)cc12)C(F)(F)F
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| InChI |
InChI=1S/C33H37F3N2O5/c1-38-13-11-22(12-14-38)19-43-29-10-8-26(17-25(29)16-24(32(39)40)7-5-21-3-4-21)42-20-23-6-9-28-27(15-23)30(41-2)18-31(37-28)33(34,35)36/h6,8-10,15-18,21-22H,3-5,7,11-14,19-20H2,1-2H3,(H,39,40)/b24-16+
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| InChIKey |
JUUYDZRCNZTBLB-LFVJCYFKSA-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