General Information of the Compound
| Compound ID |
CP0675471
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| Compound Name |
N-[4-(3,4-Dihydro-6-methoxypyrazino[1,2-a]1ndol-2(1H)-yl)-butyl]isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3
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| InChI |
InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15-16,28H,4-5,11-14,17-18H2,1H3,(H,27,31)
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| InChIKey |
AKMKMWQSLNWMNJ-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2