General Information of the Compound
| Compound ID |
CP0388933
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| Compound Name |
3-[(2R)-3-(tert-butylamino)-2-hydroxypropyl]-1-phenyl-8-[2-(2-thiophen-2-ylphenyl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C32H42N4O2S
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| Molecular Weight |
546.781
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| Canonical SMILES |
CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O
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| InChI |
InChI=1S/C32H42N4O2S/c1-31(2,3)33-22-27(37)23-35-24-36(26-11-5-4-6-12-26)32(30(35)38)16-19-34(20-17-32)18-15-25-10-7-8-13-28(25)29-14-9-21-39-29/h4-14,21,27,33,37H,15-20,22-24H2,1-3H3/t27-/m1/s1
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| InChIKey |
SKSGDFOLUKOKPF-HHHXNRCGSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor