General Information of the Compound
| Compound ID |
CP0460976
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| Compound Name |
6-Dipropargylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1Hquinazolin-2-one
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| Structure |
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| Formula |
C26H27N3O
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| Molecular Weight |
397.522
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(cc12)N(CC#C)CC#C
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| InChI |
InChI=1S/C26H27N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h1-2,9-14,17-19H,15-16H2,3-6H3
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| InChIKey |
LDTKJMBKBTVMFK-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