General Information of the Compound
| Compound ID |
CP0923566
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| Compound Name |
(2R,4S)-2-benzyl-5-(2,3-dihydro-1H-indene-5-sulfonamido)-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
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| Structure |
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| Formula |
C30H34N2O5S
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| Molecular Weight |
534.678
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| Canonical SMILES |
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCC2
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| InChI |
InChI=1S/C30H34N2O5S/c33-25(19-31-38(36,37)26-14-13-21-10-6-11-22(21)17-26)16-24(15-20-7-2-1-3-8-20)30(35)32-29-27-12-5-4-9-23(27)18-28(29)34/h1-5,7-9,12-14,17,24-25,28-29,31,33-34H,6,10-11,15-16,18-19H2,(H,32,35)/t24-,25+,28-,29+/m1/s1
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| InChIKey |
ZMLFCKSGZUYTOS-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