General Information of the Compound
| Compound ID |
CP0136050
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| Compound Name |
2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-3-yl}-N-methyl-acetamide
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| Structure |
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| Formula |
C30H42N4O4
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| Molecular Weight |
522.69
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| Canonical SMILES |
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O
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| InChI |
InChI=1S/C30H42N4O4/c1-22(2)26(38-27-19-25(37-5)12-11-23(27)3)13-16-32-17-14-30(15-18-32)29(36)33(20-28(35)31-4)21-34(30)24-9-7-6-8-10-24/h6-12,19,22,26H,13-18,20-21H2,1-5H3,(H,31,35)
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| InChIKey |
KLWASKREVYRVHL-UHFFFAOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor