General Information of the Compound
| Compound ID |
CP0408685
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| Compound Name |
2-((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)-2-oxo-acetamide
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| Structure |
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| Formula |
C20H27N3O2
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| Molecular Weight |
341.455
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| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
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| InChI |
InChI=1S/C20H27N3O2/c1-3-9-23(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(12-22-17)19(24)20(21)25/h6,8,12,14,22H,3-5,7,9-11H2,1-2H3,(H2,21,25)/t14-/m1/s1
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| InChIKey |
YHKGAKFTSNNUIP-CQSZACIVSA-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor