General Information of the Compound
| Compound ID |
CP0176364
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| Compound Name |
(2E)-2-[[5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C31H36F3N3O5
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| Molecular Weight |
587.639
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCCN1CCN(C)CC1)C(O)=O
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| InChI |
InChI=1S/C31H36F3N3O5/c1-4-5-22(30(38)39)17-23-18-24(7-9-27(23)41-15-14-37-12-10-36(2)11-13-37)42-20-21-6-8-26-25(16-21)28(40-3)19-29(35-26)31(32,33)34/h6-9,16-19H,4-5,10-15,20H2,1-3H3,(H,38,39)/b22-17+
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| InChIKey |
LDPMEAUNDPPERB-OQKWZONESA-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