General Information of the Compound
| Compound ID |
CP0557397
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| Compound Name |
4-[1-[(Z)-4-amino-2-fluorobut-2-enyl]pyrrol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C16H21ClFN3O2S
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| Molecular Weight |
373.881
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1ccc(cc1)-c1ccn(C\C(F)=C\CN)c1
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| InChI |
InChI=1S/C16H20FN3O2S.ClH/c1-19(2)23(21,22)16-5-3-13(4-6-16)14-8-10-20(11-14)12-15(17)7-9-18;/h3-8,10-11H,9,12,18H2,1-2H3;1H/b15-7-;
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| InChIKey |
WDSYVBGMVRJURA-DFPPEFKWSA-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