General Information of the Compound
| Compound ID |
CP0706790
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| Compound Name |
{(1S,2R)-3-[Cyclopentyloxy-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-1-phenyl-propyl}-carbamic acid tetrahydro-furan-3-yl ester
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| Structure |
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| Formula |
C27H36N2O8S
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| Molecular Weight |
548.658
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCOC2)OC2CCCC2)cc1
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| InChI |
InChI=1S/C27H36N2O8S/c1-34-21-11-13-24(14-12-21)38(32,33)29(37-22-9-5-6-10-22)18-26(30)25(17-20-7-3-2-4-8-20)28-27(31)36-23-15-16-35-19-23/h2-4,7-8,11-14,22-23,25-26,30H,5-6,9-10,15-19H2,1H3,(H,28,31)/t23?,25-,26+/m0/s1
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| InChIKey |
JKDFYDZDPMZNMV-MIGGUSAYSA-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