General Information of the Compound
Compound ID |
CP0508568
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Compound Name |
4-N-phenyl-9H-pyrimido[4,5-b]indole-2,4-diamine
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Structure |
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Formula |
C16H13N5
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Molecular Weight |
275.315
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Canonical SMILES |
Nc1nc(Nc2ccccc2)c2c(n1)[nH]c1ccccc21
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InChI |
InChI=1S/C16H13N5/c17-16-20-14(18-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)19-15(13)21-16/h1-9H,(H4,17,18,19,20,21)
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InChIKey |
QQJZIMVTIBWSMO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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