General Information of the Compound
| Compound ID |
CP0904482
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| Compound Name |
(S)-N'1-[2-(3-Fluoro-pyridin-4-yl)-7-(5-trifluoromethyl-1H-pyrazol-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 |
C24H19F4N7S
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| Molecular Weight |
513.524
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cc(C(F)(F)F)[nH]n3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C24H19F4N7S/c25-17-11-30-7-6-15(17)22-32-20-16(18-9-19(35-34-18)24(26,27)28)12-36-21(20)23(33-22)31-10-14(29)8-13-4-2-1-3-5-13/h1-7,9,11-12,14H,8,10,29H2,(H,34,35)(H,31,32,33)/t14-/m0/s1
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| InChIKey |
QTYHLYNWGAPKDM-AWEZNQCLSA-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