General Information of the Compound
| Compound ID |
CP0434119
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| Compound Name |
(8S,11S,14R)-11-benzyl-8-(1H-indol-3-ylmethyl)-1,6,9,12-tetrazabicyclo[12.3.0]heptadecane-2,7,10,13-tetrone
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| Structure |
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| Formula |
C29H33N5O4
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| Molecular Weight |
515.614
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| Canonical SMILES |
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCCC(=O)N2CCC[C@H]12
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| InChI |
InChI=1S/C29H33N5O4/c35-26-13-6-14-30-27(36)24(17-20-18-31-22-11-5-4-10-21(20)22)32-28(37)23(16-19-8-2-1-3-9-19)33-29(38)25-12-7-15-34(25)26/h1-5,8-11,18,23-25,31H,6-7,12-17H2,(H,30,36)(H,32,37)(H,33,38)/t23-,24-,25+/m0/s1
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| InChIKey |
BNWSRXXSGFRWJF-CCDWMCETSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor