General Information of the Compound
| Compound ID |
CP0940847
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| Compound Name |
(S)-N'1-[7-(4-Fluoro-phenyl)-2-(3-fluoro-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 |
C26H21F2N5S
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| Molecular Weight |
473.552
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccc(F)cc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H21F2N5S/c27-18-8-6-17(7-9-18)21-15-34-24-23(21)32-25(20-10-11-30-14-22(20)28)33-26(24)31-13-19(29)12-16-4-2-1-3-5-16/h1-11,14-15,19H,12-13,29H2,(H,31,32,33)/t19-/m0/s1
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| InChIKey |
WMLGNKDNTDMOQC-IBGZPJMESA-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