General Information of the Compound
| Compound ID |
CP0460556
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| Compound Name |
(3S,6S,9S,12R)-3,9-dibenzyl-6-[(1-methylindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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| Structure |
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| Formula |
C35H37N5O4
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| Molecular Weight |
591.712
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| Canonical SMILES |
Cn1cc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC2=O)c2ccccc12
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| InChI |
InChI=1S/C35H37N5O4/c1-39-22-25(26-15-8-9-16-30(26)39)21-28-33(42)38-29(20-24-13-6-3-7-14-24)35(44)40-18-10-17-31(40)34(43)37-27(32(41)36-28)19-23-11-4-2-5-12-23/h2-9,11-16,22,27-29,31H,10,17-21H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t27-,28-,29-,31+/m0/s1
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| InChIKey |
OZMMGQIVASFHMT-MGUFQOSJSA-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