General Information of the Compound
| Compound ID |
CP0794200
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| Compound Name |
(2-Chloro-6,7-dimethoxy-quinazolin-4-yl)-(3,4,5-trimethoxy-phenyl)-amine hydrochloride, 1M H2O
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| Structure |
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| Formula |
C19H21Cl2N3O5
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| Molecular Weight |
442.299
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| Canonical SMILES |
COc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.Cl
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| InChI |
InChI=1S/C19H20ClN3O5.ClH/c1-24-13-8-11-12(9-14(13)25-2)22-19(20)23-18(11)21-10-6-15(26-3)17(28-5)16(7-10)27-4;/h6-9H,1-5H3,(H,21,22,23);1H
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| InChIKey |
CIXGFIGFKIGPAP-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