General Information of the Compound
| Compound ID |
CP0766510
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| Compound Name |
{(1S,2R)-3-[Cyclopentyloxy-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-1-phenyl-propyl}-carbamic acid (S)-(hexahydro-furo[2,3-b]furan-3-yl) ester
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| Structure |
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| Formula |
C29H38N2O9S
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| Molecular Weight |
590.695
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2COC3OCCC32)OC2CCCC2)cc1
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| InChI |
InChI=1S/C29H38N2O9S/c1-36-21-11-13-23(14-12-21)41(34,35)31(40-22-9-5-6-10-22)18-26(32)25(17-20-7-3-2-4-8-20)30-29(33)39-27-19-38-28-24(27)15-16-37-28/h2-4,7-8,11-14,22,24-28,32H,5-6,9-10,15-19H2,1H3,(H,30,33)/t24?,25-,26+,27+,28?/m0/s1
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| InChIKey |
HROGQBIYFLWWNM-ODIUSYDKSA-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