General Information of the Compound
| Compound ID |
CP0224927
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| Compound Name |
1-butyl-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H38F2N4O5S
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| Molecular Weight |
592.709
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| Canonical SMILES |
CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C29H38F2N4O5S/c1-3-4-9-34-17-21(15-27(34)36)29(38)33-25(14-20-12-22(30)16-23(31)13-20)28(37)26-18-35(10-8-32-26)41(39,40)24-7-5-6-19(2)11-24/h5-7,11-13,16,21,25-26,28,32,37H,3-4,8-10,14-15,17-18H2,1-2H3,(H,33,38)/t21?,25-,26+,28-/m0/s1
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| InChIKey |
HPDGUUSJXUKDGG-HSTGIYNWSA-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