General Information of the Compound
| Compound ID |
CP0334683
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| Compound Name |
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-methylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C20H24ClFN4O2S
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| Molecular Weight |
438.956
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2cccnc12
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| InChI |
InChI=1S/C20H23FN4O2S.ClH/c1-14-19(15-6-4-7-17(12-15)28(26,27)24(2)3)20-18(8-5-11-23-20)25(14)13-16(21)9-10-22;/h4-9,11-12H,10,13,22H2,1-3H3;1H/b16-9-;
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| InChIKey |
KLWZKAGUIGUVAY-LFMIJCLESA-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