General Information of the Compound
| Compound ID |
CP0462232
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| Compound Name |
8-Pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
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| Structure |
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| Formula |
C17H20N2O
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| Molecular Weight |
268.36
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| Canonical SMILES |
O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCC1
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| InChI |
InChI=1S/C17H20N2O/c20-11-13-10-18-16-6-4-12-3-5-14(9-15(12)17(13)16)19-7-1-2-8-19/h4,6,10-11,14,18H,1-3,5,7-9H2
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| InChIKey |
JPRFHSQJEMXCKR-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00957, D(2) dopamine receptor