General Information of the Compound
| Compound ID |
CP0904485
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| Compound Name |
(S)-N'1-[6-tert-Butyl-7-(6-fluoro-pyridin-3-yl)-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 |
C29H29FN6S
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| Molecular Weight |
512.658
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| Canonical SMILES |
CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1
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| InChI |
InChI=1S/C29H29FN6S/c1-29(2,3)26-23(20-9-10-22(30)33-16-20)24-25(37-26)28(36-27(35-24)19-11-13-32-14-12-19)34-17-21(31)15-18-7-5-4-6-8-18/h4-14,16,21H,15,17,31H2,1-3H3,(H,34,35,36)/t21-/m0/s1
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| InChIKey |
KILFLMQHMKIAGX-NRFANRHFSA-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