General Information of the Compound
| Compound ID |
CP0007999
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| Compound Name |
2-methoxy-5-morpholin-4-yl-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C25H34N6O4S
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| Molecular Weight |
514.652
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1CCN(CC1)C(C)C)N1CCOCC1
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| InChI |
InChI=1S/C25H34N6O4S/c1-20(2)30-9-7-29(8-10-30)6-4-5-21-15-22(18-26-17-21)28-36(32,33)24-16-23(19-27-25(24)34-3)31-11-13-35-14-12-31/h15-20,28H,6-14H2,1-3H3
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| InChIKey |
YUHCJHVTKGYFCP-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