General Information of the Compound
| Compound ID |
CP0421779
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| Compound Name |
1-(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carbonyl)-4-(pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H25Cl2N5O4
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| Molecular Weight |
578.456
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| Canonical SMILES |
NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C(O)=O)c1ccccn1
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| InChI |
InChI=1S/C29H25Cl2N5O4/c30-19-10-8-18(9-11-19)26-20(17-24(32)37)25(34-36(26)22-6-2-1-5-21(22)31)27(38)35-15-12-29(13-16-35,28(39)40)23-7-3-4-14-33-23/h1-11,14H,12-13,15-17H2,(H2,32,37)(H,39,40)
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| InChIKey |
SMMDHXBJGWDJES-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