General Information of the Compound
| Compound ID |
CP0915711
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| Compound Name |
4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridinium chloride
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| Structure |
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| Formula |
C13H15ClN2
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| Molecular Weight |
234.73
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| Canonical SMILES |
C1=C(c2c[nH]c3ccccc23)CCNC1.Cl
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| InChI |
InChI=1S/C13H14N2.ClH/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;/h1-5,9,14-15H,6-8H2;1H
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| InChIKey |
SECBXDQTDNNDSK-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