General Information of the Compound
| Compound ID |
CP0412097
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| Compound Name |
US9090618, ZA48
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| Formula |
C33H48N4O2
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| Molecular Weight |
532.773
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| Canonical SMILES |
OC(=O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1
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| InChI |
InChI=1S/C33H48N4O2/c38-33(39)13-15-35-14-12-25(22-35)19-32-34-30-10-3-4-11-31(30)37(32)29-20-26-8-5-9-27(21-29)36(26)28-17-23-6-1-2-7-24(16-23)18-28/h3-4,10-11,23-29H,1-2,5-9,12-22H2,(H,38,39)/t23-,24+,25-,26-,27+,28-,29+/m0/s1
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| InChIKey |
LVQQAMOPIWIZSC-WCSHMYRTSA-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