General Information of the Compound
| Compound ID |
CP0956994
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| Compound Name |
(S)-3-Phenyl-N'1-(2-pyridin-4-yl-7-pyridin-3-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C25H22N6S
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| Molecular Weight |
438.56
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cccnc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C25H22N6S/c26-20(13-17-5-2-1-3-6-17)15-29-25-23-22(21(16-32-23)19-7-4-10-28-14-19)30-24(31-25)18-8-11-27-12-9-18/h1-12,14,16,20H,13,15,26H2,(H,29,30,31)/t20-/m0/s1
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| InChIKey |
SDBOGHWUDKMXNU-FQEVSTJZSA-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