General Information of the Compound
| Compound ID |
CP0423179
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| Compound Name |
1-(6,7-dimethoxyquinazolin-4-yl)-N3-(4-((S)-3-(dimethylamino) pyrrolidin-1-yl)phenyl)-1H-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C24H29N9O2
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| Molecular Weight |
475.557
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CC[C@@H](C4)N(C)C)nc3N)c2cc1OC
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| InChI |
InChI=1S/C24H29N9O2/c1-31(2)17-9-10-32(13-17)16-7-5-15(6-8-16)28-24-29-23(25)33(30-24)22-18-11-20(34-3)21(35-4)12-19(18)26-14-27-22/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H3,25,28,29,30)/t17-/m0/s1
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| InChIKey |
YMOSIZRPYKECAB-KRWDZBQOSA-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