General Information of the Compound
| Compound ID |
CP0954185
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| Compound Name |
(S)-3-Phenyl-N'1-(2-pyridin-4-yl-7-[1,2,3]triazol-1-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C22H20N8S
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| Molecular Weight |
428.525
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(-n3ccnn3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C22H20N8S/c23-17(12-15-4-2-1-3-5-15)13-25-22-20-19(18(14-31-20)30-11-10-26-29-30)27-21(28-22)16-6-8-24-9-7-16/h1-11,14,17H,12-13,23H2,(H,25,27,28)/t17-/m0/s1
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| InChIKey |
DZVGPWQVGAPPER-KRWDZBQOSA-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