General Information of the Compound
| Compound ID |
CP0445820
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| Compound Name |
N-[4-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]phenyl]formamide
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| Structure |
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| Formula |
C31H36N2O4
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| Molecular Weight |
500.639
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1c1ccc(NC=O)cc1)OC
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| InChI |
InChI=1S/C31H36N2O4/c1-35-24-10-7-21-15-25-29-11-12-31(36-2,23(16-29)20-5-8-22(9-6-20)32-18-34)28-30(29,26(21)27(24)37-28)13-14-33(25)17-19-3-4-19/h5-10,18-19,23,25,28H,3-4,11-17H2,1-2H3,(H,32,34)/t23-,25-,28-,29-,30+,31-/m1/s1
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| InChIKey |
DDRVWGHTHWQONO-VTPACTEHSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor