General Information of the Compound
| Compound ID |
CP0043967
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| Compound Name |
2-cyclohexyl-6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C31H49N5O2
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| Molecular Weight |
523.766
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)C1CCCCC1
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| InChI |
InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)32-31-26-21-28(37-3)29(38-20-10-17-35-15-8-5-9-16-35)22-27(26)33-30(34-31)24-11-6-4-7-12-24/h21-25H,4-20H2,1-3H3,(H,32,33,34)
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| InChIKey |
BEVLYTXQQMBLNS-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