General Information of the Compound
| Compound ID |
CP0740125
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| Compound Name |
(3-Bromo-phenyl)-(5H-pyrimido[5,4-b]indol-4-yl)-amine hydrochloride
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| Formula |
C16H12BrClN4
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| Molecular Weight |
375.657
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| Canonical SMILES |
Brc1cccc(Nc2[nH]cnc3c4ccccc4nc2-3)c1.Cl
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| InChI |
InChI=1S/C16H11BrN4.ClH/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15;/h1-9,20H,(H,18,19);1H
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| InChIKey |
OBFMRMXLCQBKKM-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