General Information of the Compound
| Compound ID |
CP0146221
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| Compound Name |
4-(3-methyl-5-(3-(trifluoromethyl)benzyl)benzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C21H16F3N3S
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| Molecular Weight |
399.441
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| Canonical SMILES |
Cc1c(sc2ccc(Cc3cccc(c3)C(F)(F)F)cc12)-c1ccnc(N)n1
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| InChI |
InChI=1S/C21H16F3N3S/c1-12-16-11-14(9-13-3-2-4-15(10-13)21(22,23)24)5-6-18(16)28-19(12)17-7-8-26-20(25)27-17/h2-8,10-11H,9H2,1H3,(H2,25,26,27)
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| InChIKey |
DBTSLUJDTRBXDD-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