General Information of the Compound
| Compound ID |
CP0308402
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| Compound Name |
N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-methylsulfonylpiperazin-2-yl]propan-2-yl]-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzamide
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| Structure |
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| Formula |
C29H38F2N4O6S
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| Molecular Weight |
608.708
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| Canonical SMILES |
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O
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| InChI |
InChI=1S/C29H38F2N4O6S/c1-18-9-20(14-21(10-18)29(38)35-7-4-5-24(35)17-41-2)28(37)33-25(13-19-11-22(30)15-23(31)12-19)27(36)26-16-34(8-6-32-26)42(3,39)40/h9-12,14-15,24-27,32,36H,4-8,13,16-17H2,1-3H3,(H,33,37)/t24-,25+,26-,27+/m1/s1
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| InChIKey |
IMGGISDXENNSOV-RAVGUYNFSA-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