General Information of the Compound
| Compound ID |
CP0476449
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| Compound Name |
N3-(3-chloro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(6,7-dimethoxyquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C24H27ClN8O3
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| Molecular Weight |
510.986
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(Nc4ccc(OCCN5CCCC5)c(Cl)c4)nc3N)c2cc1OC
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| InChI |
InChI=1S/C24H27ClN8O3/c1-34-20-12-16-18(13-21(20)35-2)27-14-28-22(16)33-23(26)30-24(31-33)29-15-5-6-19(17(25)11-15)36-10-9-32-7-3-4-8-32/h5-6,11-14H,3-4,7-10H2,1-2H3,(H3,26,29,30,31)
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| InChIKey |
LNCWXTGZLVPWLT-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO