General Information of the Compound
| Compound ID |
CP0475645
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| Compound Name |
2-(4-chlorophenoxy)-2-methyl-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C28H34ClN5O2
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| Molecular Weight |
508.066
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C28H34ClN5O2/c1-19-24-18-21(31-26(35)28(2,3)36-23-9-6-20(29)7-10-23)8-11-25(24)32-27(30-19)34-16-12-22(13-17-34)33-14-4-5-15-33/h6-11,18,22H,4-5,12-17H2,1-3H3,(H,31,35)
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| InChIKey |
VNZZEVIBFGYDGA-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