General Information of the Compound
| Compound ID |
CP0967908
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| Compound Name |
(S)-N'1-[7-(5-Ethyl-isoxazol-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 |
C25H24N6OS
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| Molecular Weight |
456.575
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| Canonical SMILES |
CCc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1
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| InChI |
InChI=1S/C25H24N6OS/c1-2-19-13-21(31-32-19)20-15-33-23-22(20)29-24(17-8-10-27-11-9-17)30-25(23)28-14-18(26)12-16-6-4-3-5-7-16/h3-11,13,15,18H,2,12,14,26H2,1H3,(H,28,29,30)/t18-/m0/s1
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| InChIKey |
KPBXNSNFOJKDAY-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