General Information of the Compound
| Compound ID |
CP0402513
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| Compound Name |
US9090618, ZA25
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| Formula |
C31H45N5O2
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| Molecular Weight |
519.734
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| Canonical SMILES |
OC(=O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1
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| InChI |
InChI=1S/C31H45N5O2/c37-31(38)21-34-13-11-33(12-14-34)20-30-32-28-9-1-2-10-29(28)36(30)27-18-24-7-4-8-25(19-27)35(24)26-16-22-5-3-6-23(15-22)17-26/h1-2,9-10,22-27H,3-8,11-21H2,(H,37,38)/t22-,23+,24-,25+,26+,27+
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| InChIKey |
ICQCOHCCXTZXCR-PVWDLEKUSA-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