General Information of the Compound
| Compound ID |
CP0432949
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| Compound Name |
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide
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| Structure |
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| Formula |
C27H32N4O6
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| Molecular Weight |
508.575
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| Canonical SMILES |
Cc1noc(n1)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O
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| InChI |
InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,18,22,32-33,35H,4-5,8-12H2,1-3H3,(H,29,34)/t18-,22+,26+,27-/m1/s1
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| InChIKey |
PFDFRLNPTIIBMZ-ILVYDWRVSA-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: PT01515, Mu-type opioid receptor