General Information of the Compound
| Compound ID |
CP0962242
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| Compound Name |
2-Methoxy-5-morpholino-N-(5-(4-(pyrrolidin-1-ylmethyl)phenyl)pyridin-3-yl)pyridine-3-sulfonamide formic acid salt
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| Formula |
C27H33N5O6S
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| Molecular Weight |
555.657
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| Canonical SMILES |
COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCCC3)cc2)c1.O=CO
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| InChI |
InChI=1S/C26H31N5O4S.CH2O2/c1-34-26-25(15-24(18-28-26)31-10-12-35-13-11-31)36(32,33)29-23-14-22(16-27-17-23)21-6-4-20(5-7-21)19-30-8-2-3-9-30;2-1-3/h4-7,14-18,29H,2-3,8-13,19H2,1H3;1H,(H,2,3)
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| InChIKey |
FFXRVJLZAMXWCL-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