General Information of the Compound
| Compound ID |
CP0038854
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| Compound Name |
4-(3-methyl-5-phenylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C19H15N3S
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| Molecular Weight |
317.417
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| Canonical SMILES |
Cc1c(sc2ccc(cc12)-c1ccccc1)-c1ccnc(N)n1
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| InChI |
InChI=1S/C19H15N3S/c1-12-15-11-14(13-5-3-2-4-6-13)7-8-17(15)23-18(12)16-9-10-21-19(20)22-16/h2-11H,1H3,(H2,20,21,22)
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| InChIKey |
BKTUBUVPPGLBKD-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