General Information of the Compound
| Compound ID |
CP0170857
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| Compound Name |
4-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccc4c(NCC4(C)C)c3)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H27N5O3/c1-23(2)13-25-17-10-14(6-7-16(17)23)26-20-8-9-24-22(28-20)27-15-11-18(29-3)21(31-5)19(12-15)30-4/h6-12,25H,13H2,1-5H3,(H2,24,26,27,28)
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| InChIKey |
OKDOKFJQBSOBBG-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