General Information of the Compound
| Compound ID |
CP0202237
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(2-cyanophenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H32N4O7S
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| Molecular Weight |
520.608
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| Canonical SMILES |
ONC(=O)C1(CS(=O)(=O)N2CCC(CC2)c2ccccc2C#N)CCN(CC1)C(=O)O[C@H]1CCOC1
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| InChI |
InChI=1S/C24H32N4O7S/c25-15-19-3-1-2-4-21(19)18-5-10-28(11-6-18)36(32,33)17-24(22(29)26-31)8-12-27(13-9-24)23(30)35-20-7-14-34-16-20/h1-4,18,20,31H,5-14,16-17H2,(H,26,29)/t20-/m0/s1
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| InChIKey |
KNJSKLCAFSSXEZ-FQEVSTJZSA-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