General Information of the Compound
| Compound ID |
CP0869172
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| Compound Name |
(S)-N'1-(6-Methyl-7-phenyl-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 |
C27H25N5S
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| Molecular Weight |
451.599
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| Canonical SMILES |
Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1
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| InChI |
InChI=1S/C27H25N5S/c1-18-23(20-10-6-3-7-11-20)24-25(33-18)27(32-26(31-24)21-12-14-29-15-13-21)30-17-22(28)16-19-8-4-2-5-9-19/h2-15,22H,16-17,28H2,1H3,(H,30,31,32)/t22-/m0/s1
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| InChIKey |
XQBOIQODHHXSAM-QFIPXVFZSA-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