General Information of the Compound
| Compound ID |
CP0426229
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| Compound Name |
US9090618, ZA50
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| Formula |
C33H51N5O2S
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| Molecular Weight |
581.871
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| Canonical SMILES |
CS(=O)(=O)NCCN1CC[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/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1
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| InChIKey |
CNIZVMPOGMXZSM-MVQHYNIRSA-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