General Information of the Compound
| Compound ID |
CP0967309
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| Compound Name |
(S)-N'1-[7-(3-Fluoro-prop-1-ynyl)-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 |
C23H20FN5S
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| Molecular Weight |
417.513
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCF)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C23H20FN5S/c24-10-4-7-18-15-30-21-20(18)28-22(17-8-11-26-12-9-17)29-23(21)27-14-19(25)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,15,19H,10,13-14,25H2,(H,27,28,29)/t19-/m0/s1
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| InChIKey |
GYJFBFWRLMCVNS-IBGZPJMESA-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