General Information of the Compound
| Compound ID |
CP0438260
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| Compound Name |
methyl 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]benzoate
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| Structure |
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| Formula |
C30H28Cl2N4O3
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| Molecular Weight |
563.485
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C30H28Cl2N4O3/c1-19-27(29(37)34-35-16-4-3-5-17-35)33-36(26-15-14-24(31)18-25(26)32)28(19)22-10-6-20(7-11-22)21-8-12-23(13-9-21)30(38)39-2/h6-15,18H,3-5,16-17H2,1-2H3,(H,34,37)
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| InChIKey |
FBRRWUGTLCDHFH-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