General Information of the Compound
| Compound ID |
CP0878446
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| Compound Name |
N,N,N'-Trimethyl-N0-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]methyl}ethane-1,2-diamine HCl
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| Structure |
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| Formula |
C23H27ClN4O2S
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| Molecular Weight |
459.015
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| Canonical SMILES |
CN(C)CCN(C)Cc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1.Cl
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| InChI |
InChI=1S/C23H26N4O2S.ClH/c1-26(2)13-14-27(3)16-17-11-12-21-20(15-17)23(25-24-21)30(28,29)22-10-6-8-18-7-4-5-9-19(18)22;/h4-12,15H,13-14,16H2,1-3H3,(H,24,25);1H
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| InChIKey |
KHNMQCHGLVCAIZ-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