General Information of the Compound
| Compound ID |
CP0287465
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| Compound Name |
(S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-3-(butylsulfonyl)-2-(2-methoxyacetamido)propanamide
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| Structure |
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| Formula |
C29H41F2N3O6S
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| Molecular Weight |
597.725
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| Canonical SMILES |
CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
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| InChI |
InChI=1S/C29H41F2N3O6S/c1-4-6-10-41(38,39)19-26(33-28(36)18-40-3)29(37)34-25(14-22-12-23(30)15-24(31)13-22)27(35)17-32-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,32,35H,4-6,10,14,16-19H2,1-3H3,(H,33,36)(H,34,37)/t25-,26+,27+/m0/s1
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| InChIKey |
KEKYDOCMYNKFDI-OYUWMTPXSA-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