General Information of the Compound
| Compound ID |
CP0146227
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| Compound Name |
(+/-)-4-(5-(1-aminoethyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C15H16N4S
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| Molecular Weight |
284.388
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| Canonical SMILES |
CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
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| InChI |
InChI=1S/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19)
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| InChIKey |
GZRMTEKIJSSDOK-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