General Information of the Compound
| Compound ID |
CP0034644
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-2-methylphenyl)piperazin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H33N5O7S
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| Molecular Weight |
535.623
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| Canonical SMILES |
Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO)C#N
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| InChI |
InChI=1S/C24H33N5O7S/c1-18-14-19(15-25)2-3-21(18)27-9-11-29(12-10-27)37(33,34)17-24(22(30)26-32)5-7-28(8-6-24)23(31)36-20-4-13-35-16-20/h2-3,14,20,32H,4-13,16-17H2,1H3,(H,26,30)/t20-/m0/s1
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| InChIKey |
AQXFSOLTNZQWIK-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