General Information of the Compound
| Compound ID |
CP0446381
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| Compound Name |
1-(5-Chloro-3-methyl-pyrazol-1-ylmethanesulfonyl)-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-indole
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| Structure |
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| Formula |
C18H19ClN4O2S
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| Molecular Weight |
390.896
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| Canonical SMILES |
Cc1cc(Cl)n(CS(=O)(=O)n2cc(C3=CCCNC3)c3ccccc23)n1
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| InChI |
InChI=1S/C18H19ClN4O2S/c1-13-9-18(19)22(21-13)12-26(24,25)23-11-16(14-5-4-8-20-10-14)15-6-2-3-7-17(15)23/h2-3,5-7,9,11,20H,4,8,10,12H2,1H3
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| InChIKey |
GAYQDWLUBHUGLY-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