General Information of the Compound
| Compound ID |
CP0838180
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| Compound Name |
2-(5-methyl-4-(4-phenylpiperidine-1-carbonyl)-1H-pyrazol-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nc2[nH]ccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H22N6O2/c1-14-18(13-24-28(14)22-25-19-17(7-10-23-19)20(29)26-22)21(30)27-11-8-16(9-12-27)15-5-3-2-4-6-15/h2-7,10,13,16H,8-9,11-12H2,1H3,(H2,23,25,26,29)
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| InChIKey |
KAFWYCAFLXHUPE-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