General Information of the Compound
| Compound ID |
CP0871076
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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-nitrophenylsulfonamido)pentanamide
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| Structure |
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| Formula |
C27H29N3O7S
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| Molecular Weight |
539.61
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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)c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C27H29N3O7S/c31-22(17-28-38(36,37)23-12-10-21(11-13-23)30(34)35)15-20(14-18-6-2-1-3-7-18)27(33)29-26-24-9-5-4-8-19(24)16-25(26)32/h1-13,20,22,25-26,28,31-32H,14-17H2,(H,29,33)/t20-,22+,25-,26+/m1/s1
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| InChIKey |
BJXRIKMQMKAIKQ-VAXWOWNTSA-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