General Information of the Compound
| Compound ID |
CP0007705
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| Compound Name |
N-[5-[7-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]-2-methoxyethanesulfonamide
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| Structure |
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| Formula |
C27H39N3O7S
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| Molecular Weight |
549.69
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| Canonical SMILES |
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
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| InChI |
InChI=1S/C27H39N3O7S/c1-27(2,31)22-5-7-30(8-6-22)9-10-37-25-15-19(13-21-17-36-18-23(21)25)20-14-24(26(35-4)28-16-20)29-38(32,33)12-11-34-3/h13-16,22,29,31H,5-12,17-18H2,1-4H3
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| InChIKey |
OPELYZQWTVKOJN-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