General Information of the Compound
| Compound ID |
CP0295502
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((3-phenylpyrrolidin-1-ylsulfonyl)methyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H31N3O7S
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| Molecular Weight |
481.571
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| Canonical SMILES |
ONC(=O)C1(CS(=O)(=O)N2CCC(C2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1
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| InChI |
InChI=1S/C22H31N3O7S/c26-20(23-28)22(8-11-24(12-9-22)21(27)32-19-7-13-31-15-19)16-33(29,30)25-10-6-18(14-25)17-4-2-1-3-5-17/h1-5,18-19,28H,6-16H2,(H,23,26)/t18?,19-/m0/s1
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| InChIKey |
AFJYAUBLMRWZHB-GGYWPGCISA-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