General Information of the Compound
| Compound ID |
CP0279329
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| Compound Name |
(S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl-octahydro-1lambda*4*-thiopyrano[2,3-c]pyrrol-6-yl)-propan-1-one
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| Structure |
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| Formula |
C29H31NO3S
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| Molecular Weight |
473.638
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| Canonical SMILES |
COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
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| InChIKey |
CPXJDCBDUXOLGC-SJMRASGKSA-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