General Information of the Compound
| Compound ID |
CP0050580
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| Compound Name |
(R)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)-5,6-dihydropyridin-1(2H)-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H35N5O6S
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| Molecular Weight |
545.662
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| Canonical SMILES |
Cc1cc(ccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@H]1CCCN1)C(=O)NO)C#N
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| InChI |
InChI=1S/C26H35N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-6,15,22,28,34H,2-3,7-14,17-18H2,1H3,(H,29,32)/t22-/m1/s1
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| InChIKey |
NUZIOEFGCJGHAK-JOCHJYFZSA-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