General Information of the Compound
| Compound ID |
CP0268839
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| Compound Name |
pyrrolidin-3-yl 4-[[4-(4-cyano-2-methylphenyl)piperidin-1-yl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H35N5O6S
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| Molecular Weight |
533.651
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| Canonical SMILES |
Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N
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| InChI |
InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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| InChIKey |
GHULRYOEOZAXEG-UHFFFAOYSA-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