General Information of the Compound
| Compound ID |
CP0492467
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| Compound Name |
N-[2-[[(2R)-2-acetamidopropanoyl]amino]-4-(3,5-difluorophenyl)phenyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C27H27F2N3O6
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| Molecular Weight |
527.524
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(=O)[C@@H](C)NC(C)=O)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C27H27F2N3O6/c1-14(30-15(2)33)26(34)32-22-10-16(17-8-19(28)13-20(29)9-17)6-7-21(22)31-27(35)18-11-23(36-3)25(38-5)24(12-18)37-4/h6-14H,1-5H3,(H,30,33)(H,31,35)(H,32,34)/t14-/m1/s1
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| InChIKey |
LDOAFDIKGGKMDG-CQSZACIVSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1