General Information of the Compound
| Compound ID |
CP0917651
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| Compound Name |
(S)-3-(3-Morpholin-4-yl-propyl)-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 |
C32H35N7O2S
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| Molecular Weight |
581.746
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| Canonical SMILES |
O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=S)N1CCCN1CCOCC1
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| InChI |
InChI=1S/C32H35N7O2S/c40-31-29(16-13-24-7-2-1-3-8-24)39(32(42)38(31)18-6-17-37-19-21-41-22-20-37)23-25-11-14-26(15-12-25)27-9-4-5-10-28(27)30-33-35-36-34-30/h1-5,7-12,14-15,29H,6,13,16-23H2,(H,33,34,35,36)/t29-/m0/s1
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| InChIKey |
UPLPXWJVQIBONS-LJAQVGFWSA-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