General Information of the Compound
| Compound ID |
CP0906746
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| Compound Name |
(S)-3-(4-Dimethylamino-phenyl)-5-phenethyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-thioxo-imidazolidin-4-one
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| Structure |
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| Formula |
C33H31N7OS
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| Molecular Weight |
573.726
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| Canonical SMILES |
CN(C)c1ccc(N2C(=O)[C@H](CCc3ccccc3)N(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C2=S)cc1
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| InChI |
InChI=1S/C33H31N7OS/c1-38(2)26-17-19-27(20-18-26)40-32(41)30(21-14-23-8-4-3-5-9-23)39(33(40)42)22-24-12-15-25(16-13-24)28-10-6-7-11-29(28)31-34-36-37-35-31/h3-13,15-20,30H,14,21-22H2,1-2H3,(H,34,35,36,37)/t30-/m0/s1
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| InChIKey |
BMWMTEIGSLLPED-PMERELPUSA-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