General Information of the Compound
| Compound ID |
CP0963491
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C23H21Cl2N5O2S
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| Molecular Weight |
502.427
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc([C@@H]2CCCN2)n1
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| InChI |
InChI=1S/C23H21Cl2N5O2S/c1-31-20-8-15-19(27-12-28-22(15)29-13-4-5-16(24)17(25)7-13)9-21(20)32-10-14-11-33-23(30-14)18-3-2-6-26-18/h4-5,7-9,11-12,18,26H,2-3,6,10H2,1H3,(H,27,28,29)/t18-/m0/s1
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| InChIKey |
UJKCNZDTMJJLEP-SFHVURJKSA-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