General Information of the Compound
| Compound ID |
CP0914014
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| Compound Name |
(R)-N'1-[2-(3-Fluoro-pyridin-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-propane-1,2-diamine
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| Structure |
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| Formula |
C18H20FN5S
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| Molecular Weight |
357.458
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| Canonical SMILES |
C[C@@H](N)CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C18H20FN5S/c1-10(20)8-22-17-15-12-4-2-3-5-14(12)25-18(15)24-16(23-17)11-6-7-21-9-13(11)19/h6-7,9-10H,2-5,8,20H2,1H3,(H,22,23,24)/t10-/m1/s1
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| InChIKey |
STQDTUIYESZIAS-SNVBAGLBSA-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