General Information of the Compound
| Compound ID |
CP0474256
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| Compound Name |
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-pyridin-4-ylquinazolin-4-amine
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| Structure |
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| Formula |
C26H35N7O
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| Molecular Weight |
461.614
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1-c1ccncc1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C26H35N7O/c1-31-11-4-12-33(16-15-31)26-29-23-17-21(19-5-9-27-10-6-19)24(34-3)18-22(23)25(30-26)28-20-7-13-32(2)14-8-20/h5-6,9-10,17-18,20H,4,7-8,11-16H2,1-3H3,(H,28,29,30)
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| InChIKey |
CTBXHBDOJBWJOV-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