General Information of the Compound
| Compound ID |
CP0086279
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| Compound Name |
methyl 3-[4-[4-(9-amino-5,6,7,8-tetrahydroacridin-1-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
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| Structure |
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| Formula |
C31H37N5O2
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| Molecular Weight |
511.67
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| Canonical SMILES |
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
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| InChI |
InChI=1S/C31H37N5O2/c1-38-31(37)21-12-13-25-24(19-21)22(20-33-25)7-4-5-14-35-15-17-36(18-16-35)28-11-6-10-27-29(28)30(32)23-8-2-3-9-26(23)34-27/h6,10-13,19-20,33H,2-5,7-9,14-18H2,1H3,(H2,32,34)
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| InChIKey |
UDFDEEOQQQUXBN-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter