General Information of the Compound
| Compound ID |
CP0012999
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| Compound Name |
N-[5-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-3-yl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
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| Formula |
C26H30FN5O4S
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| Molecular Weight |
527.622
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1F)N1CCOCC1
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| InChI |
InChI=1S/C26H30FN5O4S/c1-35-26-25(14-22(17-29-26)32-8-10-36-11-9-32)37(33,34)30-21-13-20(15-28-16-21)23-5-4-19(12-24(23)27)18-31-6-2-3-7-31/h4-5,12-17,30H,2-3,6-11,18H2,1H3
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| InChIKey |
ZKCWLHNBSUDOEE-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