General Information of the Compound
| Compound ID |
CP0202231
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((4-phenylpiperazin-1-ylsulfonyl)methyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H32N4O7S
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| Molecular Weight |
496.586
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| Canonical SMILES |
ONC(=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1
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| InChI |
InChI=1S/C22H32N4O7S/c27-20(23-29)22(7-9-25(10-8-22)21(28)33-19-6-15-32-16-19)17-34(30,31)26-13-11-24(12-14-26)18-4-2-1-3-5-18/h1-5,19,29H,6-17H2,(H,23,27)/t19-/m0/s1
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| InChIKey |
JGSJEYLQTZAQRG-IBGZPJMESA-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