General Information of the Compound
| Compound ID |
CP0350264
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| Compound Name |
2-(4-benzyl-1,4-diazepan-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
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| Structure |
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| Formula |
C36H53N7O2
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| Molecular Weight |
615.867
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C36H53N7O2/c1-28(2)42-20-13-30(14-21-42)37-35-31-25-33(44-3)34(45-24-10-18-40-15-7-8-16-40)26-32(31)38-36(39-35)43-19-9-17-41(22-23-43)27-29-11-5-4-6-12-29/h4-6,11-12,25-26,28,30H,7-10,13-24,27H2,1-3H3,(H,37,38,39)
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| InChIKey |
XUZDGFZXJNROCP-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