General Information of the Compound
| Compound ID |
CP0866099
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| Compound Name |
(2R,4S)-2-benzyl-5-(4-cyanophenylsulfonamido)-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pent
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| Structure |
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| Formula |
C28H29N3O5S
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| Molecular Weight |
519.623
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| Canonical SMILES |
N#Cc1ccc(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/C28H29N3O5S/c29-17-20-10-12-24(13-11-20)37(35,36)30-18-23(32)15-22(14-19-6-2-1-3-7-19)28(34)31-27-25-9-5-4-8-21(25)16-26(27)33/h1-13,22-23,26-27,30,32-33H,14-16,18H2,(H,31,34)/t22-,23+,26-,27+/m1/s1
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| InChIKey |
QPVHWPWKMURMQX-GJHDXROTSA-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