General Information of the Compound
| Compound ID |
CP0345156
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| Compound Name |
3-acetyl-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide
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| Structure |
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| Formula |
C34H35F2N3O6S
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| Molecular Weight |
651.732
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(c2ccccc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C34H35F2N3O6S/c1-22(40)25-16-26(18-30(17-25)39(46(3,43)44)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)45-2/h4-14,16-19,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t32-,33+/m0/s1
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| InChIKey |
BGEADCXJYGZUSB-JHOUSYSJSA-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