General Information of the Compound
| Compound ID |
CP0967314
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| Compound Name |
(R)-4-Methylsulfanyl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-butane-1,2-diamine
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| Structure |
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| Formula |
C20H25N5S2
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| Molecular Weight |
399.589
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| Canonical SMILES |
CSCC[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C20H25N5S2/c1-26-11-8-14(21)12-23-19-17-15-4-2-3-5-16(15)27-20(17)25-18(24-19)13-6-9-22-10-7-13/h6-7,9-10,14H,2-5,8,11-12,21H2,1H3,(H,23,24,25)/t14-/m1/s1
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| InChIKey |
DHLLLERDNHJWSN-CQSZACIVSA-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