General Information of the Compound
| Compound ID |
CP0636609
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| Compound Name |
N-(2-(4-((4-tert-butylpiperazin-1-yl)methyl)phenyl)pyridin-4-yl)-2-methoxy-5-morpholinopyridine-3-sulfonamide hemi formic acid salt
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| Formula |
C31H42N6O6S
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| Molecular Weight |
626.78
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| Canonical SMILES |
COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)(C)C)CC3)cc2)c1.O=CO
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| InChI |
InChI=1S/C30H40N6O4S.CH2O2/c1-30(2,3)36-13-11-34(12-14-36)22-23-5-7-24(8-6-23)27-19-25(9-10-31-27)33-41(37,38)28-20-26(21-32-29(28)39-4)35-15-17-40-18-16-35;2-1-3/h5-10,19-21H,11-18,22H2,1-4H3,(H,31,33);1H,(H,2,3)
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| InChIKey |
HLASFDALSYSWPR-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