General Information of the Compound
| Compound ID |
CP0957845
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| Compound Name |
3-isopropyl-1-methyl-4-(3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
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| Structure |
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| Formula |
C18H23N7O
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| Molecular Weight |
353.43
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| Canonical SMILES |
CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cnn(C)c3)c2n1
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| InChI |
InChI=1S/C18H23N7O/c1-11(2)17-18(26)23(3)7-8-25(17)14-6-5-13-16(20-14)15(22-21-13)12-9-19-24(4)10-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,21,22)
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| InChIKey |
PIVRALLDQVUVCH-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