General Information of the Compound
| Compound ID |
CP0467920
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| Compound Name |
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylquinazolin-4-amine
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| Structure |
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| Formula |
C27H36N6O
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| Molecular Weight |
460.626
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1-c1ccccc1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C27H36N6O/c1-31-12-7-13-33(17-16-31)27-29-24-18-22(20-8-5-4-6-9-20)25(34-3)19-23(24)26(30-27)28-21-10-14-32(2)15-11-21/h4-6,8-9,18-19,21H,7,10-17H2,1-3H3,(H,28,29,30)
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| InChIKey |
UWHTVLHEHDHPPG-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