General Information of the Compound
| Compound ID |
CP0499247
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| Compound Name |
4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-12H-benzo[g]pyrido[2,1-b]quinazolin-12-one
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)C(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
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| InChI |
InChI=1S/C23H22N4O2/c1-25(2)17-9-11-26(14-17)22(28)18-8-5-10-27-21(18)24-20-13-16-7-4-3-6-15(16)12-19(20)23(27)29/h3-8,10,12-13,17H,9,11,14H2,1-2H3/t17-/m0/s1
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| InChIKey |
WGQBIIIENKBDDJ-KRWDZBQOSA-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