General Information of the Compound
| Compound ID |
CP0870940
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| Compound Name |
N-{[3-(1-Naphthylsulfonyl)-1H-indazol-5yl]methyl}ethane-1,2-diamine HCl
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| Structure |
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| Formula |
C20H21ClN4O2S
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| Molecular Weight |
416.934
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| Canonical SMILES |
Cl.NCCNCc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1
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| InChI |
InChI=1S/C20H20N4O2S.ClH/c21-10-11-22-13-14-8-9-18-17(12-14)20(24-23-18)27(25,26)19-7-3-5-15-4-1-2-6-16(15)19;/h1-9,12,22H,10-11,13,21H2,(H,23,24);1H
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| InChIKey |
SAOKOWUWJNTXLN-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