General Information of the Compound
| Compound ID |
CP0957896
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| Compound Name |
US9090618, ZA69
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| Formula |
C28H37N5
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| Molecular Weight |
443.639
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| Canonical SMILES |
c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@H]1C[C@H]2CCC[C@@H](C1)N2[C@@H]1C[C@@H]2CCCC[C@@H](C2)C1
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| InChI |
InChI=1S/C28H37N5/c1-2-7-20-14-19(6-1)15-23(16-20)32-21-8-5-9-22(32)18-24(17-21)33-27-11-4-3-10-25(27)30-28(33)26-12-13-29-31-26/h3-4,10-13,19-24H,1-2,5-9,14-18H2,(H,29,31)/t19-,20+,21-,22+,23-,24+
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| InChIKey |
SPILLKRRSCVSHN-SSIAJPCRSA-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