General Information of the Compound
| Compound ID |
CP0911823
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| Compound Name |
(S)-N'1-[6-tert-Butyl-7-(3-methoxy-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 |
C31H33N5OS
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| Molecular Weight |
523.706
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| Canonical SMILES |
COc1cccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
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| InChI |
InChI=1S/C31H33N5OS/c1-31(2,3)28-25(22-11-8-12-24(18-22)37-4)26-27(38-28)30(36-29(35-26)21-13-15-33-16-14-21)34-19-23(32)17-20-9-6-5-7-10-20/h5-16,18,23H,17,19,32H2,1-4H3,(H,34,35,36)/t23-/m0/s1
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| InChIKey |
QPCOMCGDLNLLAZ-QHCPKHFHSA-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