General Information of the Compound
| Compound ID |
CP0139360
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| Compound Name |
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C26H29N5O5S
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| Molecular Weight |
523.615
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| Canonical SMILES |
O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/m0/s1
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| InChIKey |
KEHIQDJENNRLHR-RRPUWOKSSA-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