General Information of the Compound
| Compound ID |
CP0421304
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| Compound Name |
(7S,10S,13R)-10-benzyl-7-(1H-indol-3-ylmethyl)-1,5,8,11-tetrazabicyclo[11.3.0]hexadecane-2,6,9,12-tetrone
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(=O)N2CCC[C@H]12
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| InChI |
InChI=1S/C28H31N5O4/c34-25-12-13-29-26(35)23(16-19-17-30-21-10-5-4-9-20(19)21)31-27(36)22(15-18-7-2-1-3-8-18)32-28(37)24-11-6-14-33(24)25/h1-5,7-10,17,22-24,30H,6,11-16H2,(H,29,35)(H,31,36)(H,32,37)/t22-,23-,24+/m0/s1
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| InChIKey |
VTJCHLDYABYQLB-KMDXXIMOSA-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