General Information of the Compound
| Compound ID |
CP0385315
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| Compound Name |
5-[(3-Bromophenyl)amino]-3-[[N-(carboxymethyl)-N-methylamino]methyl]pyrrolo[3,2-g]quinazoline ethyl ester
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| Structure |
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| Formula |
C21H20BrN5O2
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| Molecular Weight |
454.328
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| Canonical SMILES |
COC(=O)CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
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| InChI |
InChI=1S/C21H20BrN5O2/c1-27(11-20(28)29-2)10-13-9-23-18-8-19-17(7-16(13)18)21(25-12-24-19)26-15-5-3-4-14(22)6-15/h3-9,12,23H,10-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
OHXRQVMKFRLRKO-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