General Information of the Compound
| Compound ID |
CP0937962
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| Compound Name |
1-[4-[[3-(1H-indol-3-yl)-1-methyl-propyl]amino]-1-piperidyl]-2-methyl-propan-1-one
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| Structure |
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| Formula |
C21H31N3O
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| Molecular Weight |
341.499
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| Canonical SMILES |
CC(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)C(C)C)CC1
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| InChI |
InChI=1S/C21H31N3O/c1-15(2)21(25)24-12-10-18(11-13-24)23-16(3)8-9-17-14-22-20-7-5-4-6-19(17)20/h4-7,14-16,18,22-23H,8-13H2,1-3H3
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| InChIKey |
ZGHBDCSQTHRYFL-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1