General Information of the Compound
| Compound ID |
CP0527483
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| Compound Name |
2-(4-chlorophenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methylquinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C27H30ClN5O3
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| Molecular Weight |
508.022
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCN(CC1)C(=O)C1CCCC1
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| InChI |
InChI=1S/C27H30ClN5O3/c1-18-23-16-21(30-25(34)17-36-22-9-6-20(28)7-10-22)8-11-24(23)31-27(29-18)33-14-12-32(13-15-33)26(35)19-4-2-3-5-19/h6-11,16,19H,2-5,12-15,17H2,1H3,(H,30,34)
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| InChIKey |
HXVFGDMHKQJMQN-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