General Information of the Compound
| Compound ID |
CP0462359
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| Compound Name |
N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1COc1ccc(OCCCCNC(=O)c3cc4cccnc4[nH]3)cc21
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| InChI |
InChI=1S/C26H32N4O4/c1-2-11-30-12-14-33-24-20-16-19(7-8-23(20)34-17-22(24)30)32-13-4-3-9-28-26(31)21-15-18-6-5-10-27-25(18)29-21/h5-8,10,15-16,22,24H,2-4,9,11-14,17H2,1H3,(H,27,29)(H,28,31)/t22-,24-/m1/s1
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| InChIKey |
ODGRZYYSJPOCQE-ISKFKSNPSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor