General Information of the Compound
| Compound ID |
CP0096259
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| Compound Name |
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-methyl-5-(2H-tetrazol-5-yl)indol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C22H25ClFN7O2S
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| Molecular Weight |
506.007
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)-c1nnn[nH]1
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| InChI |
InChI=1S/C22H24FN7O2S.ClH/c1-14-21(15-5-4-6-18(11-15)33(31,32)29(2)3)19-12-16(22-25-27-28-26-22)7-8-20(19)30(14)13-17(23)9-10-24;/h4-9,11-12H,10,13,24H2,1-3H3,(H,25,26,27,28);1H/b17-9-;
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| InChIKey |
RFHATPFYDXEBMU-WPTDRQDKSA-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