General Information of the Compound
| Compound ID |
CP0344107
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(4-(dimethylcarbamoyl)-2-methylphenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C27H40N4O8S
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| Molecular Weight |
580.704
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| Canonical SMILES |
CN(C)C(=O)c1ccc(C2CCN(CC2)S(=O)(=O)CC2(CCN(CC2)C(=O)O[C@H]2CCOC2)C(=O)NO)c(C)c1
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| InChI |
InChI=1S/C27H40N4O8S/c1-19-16-21(24(32)29(2)3)4-5-23(19)20-6-11-31(12-7-20)40(36,37)18-27(25(33)28-35)9-13-30(14-10-27)26(34)39-22-8-15-38-17-22/h4-5,16,20,22,35H,6-15,17-18H2,1-3H3,(H,28,33)/t22-/m0/s1
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| InChIKey |
CLQLXMUGXKTPBU-QFIPXVFZSA-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