General Information of the Compound
| Compound ID |
CP0480246
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| Compound Name |
N-cycloheptyl-6-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C25H37N5O
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| Molecular Weight |
423.605
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| Canonical SMILES |
COc1ccc2nc(nc(NC3CCCCCC3)c2c1)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C25H37N5O/c1-31-21-10-11-23-22(18-21)24(26-19-8-4-2-3-5-9-19)28-25(27-23)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
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| InChIKey |
FSPOQBZJWMWXHN-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