General Information of the Compound
| Compound ID |
CP0941018
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| Compound Name |
3-(Diethylamino)-N-(3-(naphthalen-1-ylsulfonyl)-1Hindazol-6-yl)propanamide HCl
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| Structure |
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| Formula |
C24H27ClN4O3S
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| Molecular Weight |
487.025
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| Canonical SMILES |
CCN(CC)CCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c2c1.Cl
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| InChI |
InChI=1S/C24H26N4O3S.ClH/c1-3-28(4-2)15-14-23(29)25-18-12-13-20-21(16-18)26-27-24(20)32(30,31)22-11-7-9-17-8-5-6-10-19(17)22;/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,29)(H,26,27);1H
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| InChIKey |
PBUMKGQSKQUGAU-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