General Information of the Compound
| Compound ID |
CP0442552
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| Compound Name |
US9090618, ZA43
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| Formula |
C33H51N5O2S
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| Molecular Weight |
581.871
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| Canonical SMILES |
CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
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| InChI |
InChI=1S/C33H51N5O2S/c1-41(39,40)34-15-17-36-16-7-12-26(36)23-33-35-31-13-4-5-14-32(31)38(33)30-21-27-10-6-11-28(22-30)37(27)29-19-24-8-2-3-9-25(18-24)20-29/h4-5,13-14,24-30,34H,2-3,6-12,15-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1
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| InChIKey |
ZDTJDJNWJRVPMJ-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