General Information of the Compound
| Compound ID |
CP0008305
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| Compound Name |
N-[2-[2-fluoro-4-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
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| Structure |
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| Formula |
C30H38FN5O5S
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| Molecular Weight |
599.729
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1
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| InChI |
InChI=1S/C30H38FN5O5S/c1-30(2,37)22-7-10-35(11-8-22)20-21-4-5-25(26(31)16-21)27-17-23(6-9-32-27)34-42(38,39)28-18-24(19-33-29(28)40-3)36-12-14-41-15-13-36/h4-6,9,16-19,22,37H,7-8,10-15,20H2,1-3H3,(H,32,34)
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| InChIKey |
IBOMSUFUDLNEOU-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