General Information of the Compound
| Compound ID |
CP0855615
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| Compound Name |
3-(Dimethylamino)-N-(3-(naphthalen-1-ylsulfonyl)-1Hindazol-7-yl)propanamide HCl
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| Structure |
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| Formula |
C22H23ClN4O3S
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| Molecular Weight |
458.971
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| Canonical SMILES |
CN(C)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12.Cl
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| InChI |
InChI=1S/C22H22N4O3S.ClH/c1-26(2)14-13-20(27)23-18-11-6-10-17-21(18)24-25-22(17)30(28,29)19-12-5-8-15-7-3-4-9-16(15)19;/h3-12H,13-14H2,1-2H3,(H,23,27)(H,24,25);1H
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| InChIKey |
IMGUQGVWFZNJKS-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