General Information of the Compound
| Compound ID |
CP0012823
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| Compound Name |
2-methoxy-5-morpholin-4-yl-N-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Structure |
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| Formula |
C29H38N6O4S
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| Molecular Weight |
566.728
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
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| InChI |
InChI=1S/C29H38N6O4S/c1-22(2)34-10-8-33(9-11-34)21-23-4-6-24(7-5-23)25-16-26(19-30-18-25)32-40(36,37)28-17-27(20-31-29(28)38-3)35-12-14-39-15-13-35/h4-7,16-20,22,32H,8-15,21H2,1-3H3
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| InChIKey |
BPHJDOCHBUUJJH-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