General Information of the Compound
| Compound ID |
CP0571207
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| Compound Name |
3-[[4-[2-methyl-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-3H-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol
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| Structure |
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| Formula |
C29H40N4O4S
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| Molecular Weight |
540.73
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1(C)Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCCO
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| InChI |
InChI=1S/C29H40N4O4S/c1-3-5-22-20-30-28(31-21-22)32-12-10-26(11-13-32)29(2)19-25-18-24(6-7-27(25)37-29)23-8-14-33(15-9-23)38(35,36)17-4-16-34/h6-8,18,20-21,26,34H,3-5,9-17,19H2,1-2H3
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| InChIKey |
PHOISNUGBIDGLQ-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