General Information of the Compound
| Compound ID |
CP0918218
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| Compound Name |
(S)-N'1-[7-(2-Methoxy-5-trifluoromethyl-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 |
C29H26F3N5OS
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| Molecular Weight |
549.622
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| Canonical SMILES |
COc1ccc(C(F)(F)F)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C29H26F3N5OS/c1-17-24(22-15-20(29(30,31)32)8-9-23(22)38-2)25-26(39-17)28(37-27(36-25)19-10-12-34-13-11-19)35-16-21(33)14-18-6-4-3-5-7-18/h3-13,15,21H,14,16,33H2,1-2H3,(H,35,36,37)/t21-/m0/s1
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| InChIKey |
YALHQTLZGQRBQK-NRFANRHFSA-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