General Information of the Compound
| Compound ID |
CP0951766
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| Compound Name |
(S)-N'1-[2-(3-Fluoro-pyridin-4-yl)-7-thiophen-3-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C24H20FN5S2
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| Molecular Weight |
461.591
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccsc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C24H20FN5S2/c25-20-12-27-8-6-18(20)23-29-21-19(16-7-9-31-13-16)14-32-22(21)24(30-23)28-11-17(26)10-15-4-2-1-3-5-15/h1-9,12-14,17H,10-11,26H2,(H,28,29,30)/t17-/m0/s1
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| InChIKey |
QMGBNPVEOCFZMZ-KRWDZBQOSA-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