General Information of the Compound
| Compound ID |
CP0402914
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| Compound Name |
1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C35H31Cl2N3O4
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| Molecular Weight |
628.556
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)N1CCC(CC1)C(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C35H31Cl2N3O4/c1-21(22-3-5-23(6-4-22)34(41)39-13-11-24(12-14-39)35(42)43)40-33(20-32(38-40)28-16-29(36)19-30(37)17-28)27-8-7-26-18-31(44-2)10-9-25(26)15-27/h3-10,15-21,24H,11-14H2,1-2H3,(H,42,43)
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| InChIKey |
FIOKTUGQMYAXOR-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