General Information of the Compound
| Compound ID |
CP0951319
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| Compound Name |
(S)-N'1-[7-(5-Isopropyl-2-methoxy-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 |
C31H33N5OS
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| Molecular Weight |
523.706
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| Canonical SMILES |
COc1ccc(C(C)C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C31H33N5OS/c1-19(2)23-10-11-26(37-4)25(17-23)27-20(3)38-29-28(27)35-30(22-12-14-33-15-13-22)36-31(29)34-18-24(32)16-21-8-6-5-7-9-21/h5-15,17,19,24H,16,18,32H2,1-4H3,(H,34,35,36)/t24-/m0/s1
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| InChIKey |
OTUBWGLHXFVKSB-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