General Information of the Compound
| Compound ID |
CP0463976
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| Compound Name |
1-(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carbonyl)-4-(5-fluoropyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H24Cl2FN5O4
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| Molecular Weight |
596.446
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| Canonical SMILES |
NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C(O)=O)c1ccc(F)cn1
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| InChI |
InChI=1S/C29H24Cl2FN5O4/c30-18-7-5-17(6-8-18)26-20(15-24(33)38)25(35-37(26)22-4-2-1-3-21(22)31)27(39)36-13-11-29(12-14-36,28(40)41)23-10-9-19(32)16-34-23/h1-10,16H,11-15H2,(H2,33,38)(H,40,41)
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| InChIKey |
SKHJYMXKKBQLIN-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