General Information of the Compound
| Compound ID |
CP0493362
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| Compound Name |
3-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-chloro-2-methyl-1H-indole
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| Structure |
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| Formula |
C21H21ClN2
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| Molecular Weight |
336.866
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| Canonical SMILES |
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H21ClN2/c1-15-21(19-13-18(22)7-8-20(19)23-15)17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-9,13,23H,10-12,14H2,1H3
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| InChIKey |
QKUZXHSNDIKMFV-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