General Information of the Compound
Compound ID |
CP0909739
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Compound Name |
6-(3-aminophenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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Formula |
C24H25N5O
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Molecular Weight |
399.498
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Canonical SMILES |
Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cccc(N)c1
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InChI |
InChI=1S/C24H25N5O/c1-16-20(18-11-8-12-19(25)15-18)24(30)29-23(26-16)22(28-13-6-3-7-14-28)21(27-29)17-9-4-2-5-10-17/h2,4-5,8-12,15,26H,3,6-7,13-14,25H2,1H3
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InChIKey |
XZOBRFIDJWMLCC-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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