General Information of the Compound
| Compound ID |
CP0952754
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| Compound Name |
(S)-N'1-(6-tert-Butyl-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 |
C30H31N5S
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| Molecular Weight |
493.68
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| Canonical SMILES |
CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1
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| InChI |
InChI=1S/C30H31N5S/c1-30(2,3)27-24(21-12-8-5-9-13-21)25-26(36-27)29(35-28(34-25)22-14-16-32-17-15-22)33-19-23(31)18-20-10-6-4-7-11-20/h4-17,23H,18-19,31H2,1-3H3,(H,33,34,35)/t23-/m0/s1
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| InChIKey |
RKXZQWZLXMRVGI-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