General Information of the Compound
| Compound ID |
CP0509532
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C38H31Cl2N3O4
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| Molecular Weight |
664.589
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NC(CC(O)=O)c1ccccc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C38H31Cl2N3O4/c1-23(24-8-10-26(11-9-24)38(46)41-34(22-37(44)45)25-6-4-3-5-7-25)43-36(21-35(42-43)30-17-31(39)20-32(40)18-30)29-13-12-28-19-33(47-2)15-14-27(28)16-29/h3-21,23,34H,22H2,1-2H3,(H,41,46)(H,44,45)
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| InChIKey |
NZPVPVNZOQBYCQ-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