General Information of the Compound
| Compound ID |
CP0863141
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| Compound Name |
(S)-N'1-[7-(4-Aminomethyl-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 |
C27H25FN6S
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| Molecular Weight |
484.604
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| Canonical SMILES |
NCc1ccc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4F)nc23)cc1
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| InChI |
InChI=1S/C27H25FN6S/c28-23-15-31-11-10-21(23)26-33-24-22(19-8-6-18(13-29)7-9-19)16-35-25(24)27(34-26)32-14-20(30)12-17-4-2-1-3-5-17/h1-11,15-16,20H,12-14,29-30H2,(H,32,33,34)/t20-/m0/s1
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| InChIKey |
MZBSVFXLXMUFSV-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