General Information of the Compound
| Compound ID |
CP0862369
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| Compound Name |
(S)-N'1-[2-(3-Fluoro-pyridin-4-yl)-7-phenyl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C26H22FN5S
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| Molecular Weight |
455.562
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccccc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H22FN5S/c27-22-15-29-12-11-20(22)25-31-23-21(18-9-5-2-6-10-18)16-33-24(23)26(32-25)30-14-19(28)13-17-7-3-1-4-8-17/h1-12,15-16,19H,13-14,28H2,(H,30,31,32)/t19-/m0/s1
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| InChIKey |
OCUHSBRTQROLKI-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