General Information of the Compound
| Compound ID |
CP0423745
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| Compound Name |
1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
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| Structure |
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
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| InChI |
InChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21)
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| InChIKey |
KXPMFHBHSVJEJF-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