General Information of the Compound
| Compound ID |
CP0241952
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| Compound Name |
2-(4-cyclohexyl-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 |
C35H57N7O2
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| Molecular Weight |
607.888
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C35H57N7O2/c1-27(2)40-20-13-28(14-21-40)36-34-30-25-32(43-3)33(44-24-10-17-39-15-7-8-16-39)26-31(30)37-35(38-34)42-19-9-18-41(22-23-42)29-11-5-4-6-12-29/h25-29H,4-24H2,1-3H3,(H,36,37,38)
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| InChIKey |
DVCHKKPWEQUYSV-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