General Information of the Compound
| Compound ID |
CP0384548
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| Compound Name |
(1S,2S,6R,14R,15R,16R)-10-bromo-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
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| Structure |
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| Formula |
C29H40BrNO4
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| Molecular Weight |
546.546
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C29H40BrNO4/c1-25(2,3)26(4,33)19-14-27-8-9-29(19,34-5)24-28(27)10-11-31(15-16-6-7-16)20(27)13-17-12-18(30)22(32)23(35-24)21(17)28/h12,16,19-20,24,32-33H,6-11,13-15H2,1-5H3/t19-,20-,24-,26-,27-,28+,29-/m1/s1
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| InChIKey |
QEUMZRGQWVOUCP-FPHSBRQASA-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor