General Information of the Compound
| Compound ID |
CP0438518
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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-indole-2-carboxamide
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| Structure |
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| Formula |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1COc1ccc(OCCCCNC(=O)c3cc4ccccc4[nH]3)cc21
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| InChI |
InChI=1S/C27H33N3O4/c1-2-12-30-13-15-33-26-21-17-20(9-10-25(21)34-18-24(26)30)32-14-6-5-11-28-27(31)23-16-19-7-3-4-8-22(19)29-23/h3-4,7-10,16-17,24,26,29H,2,5-6,11-15,18H2,1H3,(H,28,31)/t24-,26-/m1/s1
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| InChIKey |
AROFXNYQCSFIME-AOYPEHQESA-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