General Information of the Compound
| Compound ID |
CP0951332
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| Compound Name |
(S)-N'1-[7-(6-Fluoro-pyridin-3-yl)-6-methyl-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 |
C26H23FN6S
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| Molecular Weight |
470.577
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| Canonical SMILES |
Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1
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| InChI |
InChI=1S/C26H23FN6S/c1-16-22(19-7-8-21(27)30-14-19)23-24(34-16)26(33-25(32-23)18-9-11-29-12-10-18)31-15-20(28)13-17-5-3-2-4-6-17/h2-12,14,20H,13,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
OGTIYPUHQLHXMX-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