General Information of the Compound
| Compound ID |
CP0487657
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| Compound Name |
N-(2,2-dimethylpropyl)-4-[[(8,9-dimethylpyrazolo[3,4-h]quinazolin-4-yl)amino]methyl]benzamide
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NCC(C)(C)C)ncnc3c12
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| InChI |
InChI=1S/C24H28N6O/c1-15-20-19(29-30(15)5)11-10-18-21(20)27-14-28-22(18)25-12-16-6-8-17(9-7-16)23(31)26-13-24(2,3)4/h6-11,14H,12-13H2,1-5H3,(H,26,31)(H,25,27,28)
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| InChIKey |
AKJGKPUSUCMFKM-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