General Information of the Compound
| Compound ID |
CP0457105
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| Compound Name |
5-[(3-Bromophenyl)amino]-3-[(4-morpholino)methyl]-pyrrolo[3,2-g]quinazoline
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| Structure |
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| Formula |
C21H20BrN5O
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| Molecular Weight |
438.329
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1
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| InChI |
InChI=1S/C21H20BrN5O/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27-4-6-28-7-5-27)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23H,4-7,12H2,(H,24,25,26)
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| InChIKey |
GQMMJLLDUVOKED-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