General Information of the Compound
| Compound ID |
CP0413165
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| Compound Name |
US9090618, ZA52
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| Formula |
C36H55N5O
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| Molecular Weight |
573.87
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| Canonical SMILES |
CCN(CC)C(=O)CN1CC[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/C36H55N5O/c1-3-39(4-2)36(42)25-38-17-16-28(24-38)21-35-37-33-14-7-8-15-34(33)41(35)32-22-29-12-9-13-30(23-32)40(29)31-19-26-10-5-6-11-27(18-26)20-31/h7-8,14-15,26-32H,3-6,9-13,16-25H2,1-2H3/t26-,27+,28-,29-,30+,31-,32+/m0/s1
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| InChIKey |
RMSTWPKEPDMVNK-QXGXYANZSA-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