General Information of the Compound
| Compound ID |
CP0461309
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| Compound Name |
4-(4-propan-2-ylpiperazine-1-carbonyl)-12H-benzo[g]pyrido[2,1-b]quinazolin-12-one
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
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| InChI |
InChI=1S/C24H24N4O2/c1-16(2)26-10-12-27(13-11-26)23(29)19-8-5-9-28-22(19)25-21-15-18-7-4-3-6-17(18)14-20(21)24(28)30/h3-9,14-16H,10-13H2,1-2H3
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| InChIKey |
JFGHZYXCOQFYFA-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