General Information of the Compound
| Compound ID |
CP0377769
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| Compound Name |
3-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-8-yl}propane-1,2-diol
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| Structure |
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| Formula |
C19H17BrN4O2
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| Molecular Weight |
413.275
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| Canonical SMILES |
OCC(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
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| InChI |
InChI=1S/C19H17BrN4O2/c20-13-2-1-3-14(7-13)23-19-16-6-12-4-5-24(9-15(26)10-25)18(12)8-17(16)21-11-22-19/h1-8,11,15,25-26H,9-10H2,(H,21,22,23)
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| InChIKey |
VBSAGPWININOEH-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