General Information of the Compound
| Compound ID |
CP0014245
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| Compound Name |
N-[2-[4-[(4-tert-butylpiperazin-1-yl)methyl]-2-fluorophenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
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| Structure |
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| Formula |
C30H39FN6O4S
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| Molecular Weight |
598.745
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1
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| InChI |
InChI=1S/C30H39FN6O4S/c1-30(2,3)37-11-9-35(10-12-37)21-22-5-6-25(26(31)17-22)27-18-23(7-8-32-27)34-42(38,39)28-19-24(20-33-29(28)40-4)36-13-15-41-16-14-36/h5-8,17-20H,9-16,21H2,1-4H3,(H,32,34)
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| InChIKey |
AKFDATPUGCDDEH-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