General Information of the Compound
| Compound ID |
CP0025912
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| Compound Name |
1-Methyl-8-{[2-(propan-2-yl)phenyl]amino}-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide
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| Structure |
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| Formula |
C20H22N6O
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| Molecular Weight |
362.437
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| Canonical SMILES |
CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
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| InChI |
InChI=1S/C20H22N6O/c1-11(2)13-6-4-5-7-15(13)23-20-22-10-12-8-9-14-17(19(21)27)25-26(3)18(14)16(12)24-20/h4-7,10-11H,8-9H2,1-3H3,(H2,21,27)(H,22,23,24)
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| InChIKey |
ANAAVHLLZPPWCU-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