General Information of the Compound
| Compound ID |
CP0118702
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(2-fluorophenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H32FN3O7S
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| Molecular Weight |
513.588
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| Canonical SMILES |
ONC(=O)C1(CS(=O)(=O)N2CCC(CC2)c2ccccc2F)CCN(CC1)C(=O)O[C@H]1CCOC1
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| InChI |
InChI=1S/C23H32FN3O7S/c24-20-4-2-1-3-19(20)17-5-10-27(11-6-17)35(31,32)16-23(21(28)25-30)8-12-26(13-9-23)22(29)34-18-7-14-33-15-18/h1-4,17-18,30H,5-16H2,(H,25,28)/t18-/m0/s1
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| InChIKey |
JWVKYLLQNXGDRB-SFHVURJKSA-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