General Information of the Compound
| Compound ID |
CP0095526
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| Compound Name |
(+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C21H20N4OS
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| Molecular Weight |
376.485
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| Canonical SMILES |
COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
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| InChI |
InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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| InChIKey |
LIRJSHARPOXCLR-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