General Information of the Compound
| Compound ID |
CP0862387
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| Compound Name |
(S)-N'1-[7-(2-Methyl-2H-pyrazol-3-yl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C24H23N7S
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| Molecular Weight |
441.564
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| Canonical SMILES |
Cn1nccc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C24H23N7S/c1-31-20(9-12-28-31)19-15-32-22-21(19)29-23(17-7-10-26-11-8-17)30-24(22)27-14-18(25)13-16-5-3-2-4-6-16/h2-12,15,18H,13-14,25H2,1H3,(H,27,29,30)/t18-/m0/s1
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| InChIKey |
SHGDQMRPLUNIPV-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