General Information of the Compound
| Compound ID |
CP0417969
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| Compound Name |
N-[2-(1H-indol-3-yl)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C27H20N4O2
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| Molecular Weight |
432.483
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| Canonical SMILES |
O=C(NCCc1c[nH]c2ccccc12)c1cccn2c1nc1cc3ccccc3cc1c2=O
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| InChI |
InChI=1S/C27H20N4O2/c32-26(28-12-11-19-16-29-23-10-4-3-8-20(19)23)21-9-5-13-31-25(21)30-24-15-18-7-2-1-6-17(18)14-22(24)27(31)33/h1-10,13-16,29H,11-12H2,(H,28,32)
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| InChIKey |
MEAJDCQREQYNNH-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