General Information of the Compound
| Compound ID |
CP0944161
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| Compound Name |
2-Methyl-8-(pyridin-3-ylsulfonyl)-2,3,4,5-tetrahydro-1Hpyrido[4,3-b]indole hydrochloride
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| Structure |
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| Formula |
C17H18ClN3O2S
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| Molecular Weight |
363.87
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| Canonical SMILES |
CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccnc4)cc3c2C1.Cl
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| InChI |
InChI=1S/C17H17N3O2S.ClH/c1-20-8-6-17-15(11-20)14-9-12(4-5-16(14)19-17)23(21,22)13-3-2-7-18-10-13;/h2-5,7,9-10,19H,6,8,11H2,1H3;1H
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| InChIKey |
KQEKMJZCGRYCRQ-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