General Information of the Compound
| Compound ID |
CP0951940
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| Compound Name |
(S)-N'1-[7-(2-Methoxy-5-methyl-phenyl)-6-methyl-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 |
C29H29N5OS
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| Molecular Weight |
495.652
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| Canonical SMILES |
COc1ccc(C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C29H29N5OS/c1-18-9-10-24(35-3)23(15-18)25-19(2)36-27-26(25)33-28(21-11-13-31-14-12-21)34-29(27)32-17-22(30)16-20-7-5-4-6-8-20/h4-15,22H,16-17,30H2,1-3H3,(H,32,33,34)/t22-/m0/s1
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| InChIKey |
NWORBCQZEFQANW-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