General Information of the Compound
| Compound ID |
CP0421844
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| Compound Name |
N-butyl-2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
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| Structure |
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| Formula |
C32H46N4O4
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| Molecular Weight |
550.744
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| Canonical SMILES |
CCCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
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| InChI |
InChI=1S/C32H46N4O4/c1-6-7-17-33-31(37)22-35-27-10-8-9-11-28(27)36(32(35)38)25-14-18-34(19-15-25)20-16-29(23(2)3)40-30-21-26(39-5)13-12-24(30)4/h8-13,21,23,25,29H,6-7,14-20,22H2,1-5H3,(H,33,37)
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| InChIKey |
RHXCECMKFJHNGV-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor