General Information of the Compound
| Compound ID |
CP0367761
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| Compound Name |
5-(benzenesulfonyl)-1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C38H43F2N3O6S
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| Molecular Weight |
707.84
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
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| InChI |
InChI=1S/C38H43F2N3O6S/c1-4-14-43(15-5-2)38(46)29-20-28(21-34(22-29)50(47,48)33-12-7-6-8-13-33)37(45)42-35(19-27-16-30(39)23-31(40)17-27)36(44)25-41-24-26-10-9-11-32(18-26)49-3/h6-13,16-18,20-23,35-36,41,44H,4-5,14-15,19,24-25H2,1-3H3,(H,42,45)/t35-,36+/m0/s1
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| InChIKey |
SUHUZGDMCOOSBZ-MPQUPPDSSA-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