General Information of the Compound
| Compound ID |
CP0058543
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| Compound Name |
4-Anilinoquinazoline deriv. 54
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| Synonyms |
169205-87-2
4-(3-bromoanilino)-6,7-diaminoquinazoline
4-Anilinoquinazoline deriv. 54
4-N-(3-bromophenyl)quinazoline-4,6,7-triamine
4-[(3-Bromophenyl)amino]-6,7-diaminoquinazoline
4[ (3-Bromophenyl)aminol-6,7-diaminoquinazoline
AC1L1DNE
ADXSZLCTQCWMTE-UHFFFAOYSA-N
AKOS025149794
BDBM3303
CHEMBL328216
CTK8F8323
HSCI1_000040
IN1401
J-010514
K00041
N*4*-(3-Bromo-phenyl)-quinazoline-4,6,7-triamine
N-(3-Bromophenyl)quinazoline-4,6,7-triamine
N4-(3-bromophenyl)-4,6,7-Quinazolinetriamine
SCHEMBL7221302
bpdq
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| Structure |
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| Formula |
C14H12BrN5
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| Molecular Weight |
330.189
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| Canonical SMILES |
Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
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| InChI |
InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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| InChIKey |
ADXSZLCTQCWMTE-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
Clinical Information about the Compound