General Information of the Compound
| Compound ID |
CP0510699
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| Compound Name |
4-[4-[benzyl-[1-[4-[(3,5-dichloropyridine-4-carbonyl)amino]butan-2-yl]piperidin-4-yl]amino]phenoxy]benzoic acid
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| Structure |
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| Formula |
C35H36Cl2N4O4
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| Molecular Weight |
647.603
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C35H36Cl2N4O4/c1-24(15-18-39-34(42)33-31(36)21-38-22-32(33)37)40-19-16-28(17-20-40)41(23-25-5-3-2-4-6-25)27-9-13-30(14-10-27)45-29-11-7-26(8-12-29)35(43)44/h2-14,21-22,24,28H,15-20,23H2,1H3,(H,39,42)(H,43,44)
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| InChIKey |
GAZVPCRVUAJMJO-UHFFFAOYSA-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