General Information of the Compound
| Compound ID |
CP0123794
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| Compound Name |
3-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}propane-1,2-diol
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| Structure |
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| Formula |
C18H16BrN5O2
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| Molecular Weight |
414.263
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| Canonical SMILES |
OCC(O)Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
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| InChI |
InChI=1S/C18H16BrN5O2/c19-12-2-1-3-13(5-12)23-18-15-4-11-7-22-24(8-14(26)9-25)17(11)6-16(15)20-10-21-18/h1-7,10,14,25-26H,8-9H2,(H,20,21,23)
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| InChIKey |
YSBALMSOJQNWOI-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