General Information of the Compound
| Compound ID |
CP0511983
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| Compound Name |
1-[6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,4-dihydroquinazolin-3-yl]ethanone
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| Formula |
C22H25ClN4O2
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| Molecular Weight |
412.921
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| Canonical SMILES |
CC(=O)N1CN(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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| InChI |
InChI=1S/C22H25ClN4O2/c1-16-5-3-4-6-20(16)24-9-11-25(12-10-24)22(29)27-15-26(17(2)28)14-18-13-19(23)7-8-21(18)27/h3-8,13H,9-12,14-15H2,1-2H3
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| InChIKey |
LWGCXWKUFIBQBX-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