General Information of the Compound
| Compound ID |
CP0398542
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| Compound Name |
1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C34H29Cl2N3O4
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| Molecular Weight |
614.529
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)N1CCC(C1)C(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C34H29Cl2N3O4/c1-20(21-3-5-22(6-4-21)33(40)38-12-11-26(19-38)34(41)42)39-32(18-31(37-39)27-14-28(35)17-29(36)15-27)25-8-7-24-16-30(43-2)10-9-23(24)13-25/h3-10,13-18,20,26H,11-12,19H2,1-2H3,(H,41,42)
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| InChIKey |
KOAIFXVYRHSSKS-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