General Information of the Compound
| Compound ID |
CP0952734
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| Compound Name |
(S)-3-(2-Methoxy-phenyl)-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C25H27N5OS
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| Molecular Weight |
445.592
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| Canonical SMILES |
COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C25H27N5OS/c1-31-20-8-4-2-6-17(20)14-18(26)15-28-24-22-19-7-3-5-9-21(19)32-25(22)30-23(29-24)16-10-12-27-13-11-16/h2,4,6,8,10-13,18H,3,5,7,9,14-15,26H2,1H3,(H,28,29,30)/t18-/m0/s1
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| InChIKey |
YBZMRYATNBZJEI-SFHVURJKSA-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