General Information of the Compound
| Compound ID |
CP0011266
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| Compound Name |
4-[[(1S)-1-[5-(azetidin-1-ylmethyl)-2-fluorophenyl]ethyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H21ClF2N4O2S2
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| Molecular Weight |
499.008
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| Canonical SMILES |
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1cc(CN2CCC2)ccc1F
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| InChI |
InChI=1S/C21H21ClF2N4O2S2/c1-13(15-7-14(3-4-17(15)23)10-28-5-2-6-28)26-19-9-18(24)20(8-16(19)22)32(29,30)27-21-11-31-12-25-21/h3-4,7-9,11-13,26-27H,2,5-6,10H2,1H3/t13-/m0/s1
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| InChIKey |
JYEYDNUQQSHVRP-ZDUSSCGKSA-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