General Information of the Compound
| Compound ID |
CP0951936
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| Compound Name |
(S)-3-Phenyl-N'1-(7-phenylethynyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C28H23N5S
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| Molecular Weight |
461.594
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccccc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C28H23N5S/c29-24(17-21-9-5-2-6-10-21)18-31-28-26-25(32-27(33-28)22-13-15-30-16-14-22)23(19-34-26)12-11-20-7-3-1-4-8-20/h1-10,13-16,19,24H,17-18,29H2,(H,31,32,33)/t24-/m0/s1
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| InChIKey |
CQFCWQBJBPYBMX-DEOSSOPVSA-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