General Information of the Compound
| Compound ID |
CP0264988
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-methylsulfonylpiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C29H40F2N4O5S
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| Molecular Weight |
594.725
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| Canonical SMILES |
CCCN(CCC)C(=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/C29H40F2N4O5S/c1-5-8-34(9-6-2)29(38)22-12-19(3)11-21(16-22)28(37)33-25(15-20-13-23(30)17-24(31)14-20)27(36)26-18-35(10-7-32-26)41(4,39)40/h11-14,16-17,25-27,32,36H,5-10,15,18H2,1-4H3,(H,33,37)/t25-,26+,27-/m0/s1
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| InChIKey |
NJMFDNQZIQZAMU-VJGNERBWSA-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