General Information of the Compound
| Compound ID |
CP0890998
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| Compound Name |
4-{[2,6-Dimethyl-4-(2-{[5-(2-methylcarbamoylmethoxy-acetylamino)-pentylcarbamoyl]-methoxy}-acetylamino)-phenyl]-piperidin-4-ylidene-methyl}-N,N-diethyl-benzamide hydrochloride
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| Structure |
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| Formula |
C39H57ClN6O7
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| Molecular Weight |
757.373
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc2C)cc1.Cl
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| InChI |
InChI=1S/C39H56N6O7.ClH/c1-6-45(7-2)39(50)31-13-11-29(12-14-31)38(30-15-19-41-20-16-30)37-27(3)21-32(22-28(37)4)44-36(49)26-52-25-35(48)43-18-10-8-9-17-42-34(47)24-51-23-33(46)40-5;/h11-14,21-22,41H,6-10,15-20,23-26H2,1-5H3,(H,40,46)(H,42,47)(H,43,48)(H,44,49);1H
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| InChIKey |
VHQPEXKNVPFRRE-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: PT01791, Delta-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor