General Information of the Compound
| Compound ID |
CP0922740
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| Compound Name |
N-(4-((4aS,10bS)-9-hydroxy-2,3,4a,5-tetrahydrochromeno[4,3-b][1,4]oxazin-4(10bH)-yl)butyl)-1H-indole-2-carboxamide
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
O=C(NCCCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H27N3O4/c28-17-7-8-22-18(14-17)23-21(15-31-22)27(11-12-30-23)10-4-3-9-25-24(29)20-13-16-5-1-2-6-19(16)26-20/h1-2,5-8,13-14,21,23,26,28H,3-4,9-12,15H2,(H,25,29)/t21-,23-/m0/s1
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| InChIKey |
XUAGVHSWKPRGFP-GMAHTHKFSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor