General Information of the Compound
| Compound ID |
CP0339319
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| Compound Name |
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C26H28ClN5O5S
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| Molecular Weight |
558.06
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| Canonical SMILES |
Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1
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| InChIKey |
DRITZQUGSDWNJE-NYDSKATKSA-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
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor