General Information of the Compound
| Compound ID |
CP0385676
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| Compound Name |
2-(4-chlorophenoxy)-N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-methylquinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C28H32ClN5O3
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| Molecular Weight |
522.049
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCN(CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C28H32ClN5O3/c1-19-24-17-22(31-26(35)18-37-23-10-7-21(29)8-11-23)9-12-25(24)32-28(30-19)34-15-13-33(14-16-34)27(36)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16,18H2,1H3,(H,31,35)
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| InChIKey |
NATQXVOVEHJDPW-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