General Information of the Compound
| Compound ID |
CP0960106
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| Compound Name |
(2R,4S)-2-benzyl-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(4-propylphenylsulfonamido)pentanamide
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| Structure |
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| Formula |
C30H36N2O5S
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| Molecular Weight |
536.694
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| Canonical SMILES |
CCCc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1
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| InChI |
InChI=1S/C30H36N2O5S/c1-2-8-21-13-15-26(16-14-21)38(36,37)31-20-25(33)18-24(17-22-9-4-3-5-10-22)30(35)32-29-27-12-7-6-11-23(27)19-28(29)34/h3-7,9-16,24-25,28-29,31,33-34H,2,8,17-20H2,1H3,(H,32,35)/t24-,25+,28-,29+/m1/s1
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| InChIKey |
VBNNXMNLIXQXKX-BVIJCPSYSA-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