General Information of the Compound
| Compound ID |
CP0428138
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| Compound Name |
6-[1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-2-methoxypyridine-3-carbonitrile
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| Structure |
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| Formula |
C24H28N4O5
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| Molecular Weight |
452.511
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| Canonical SMILES |
COc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
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| InChI |
InChI=1S/C24H28N4O5/c1-15-17(4-5-18-19(15)14-33-24(18)31)21(29)12-27-7-9-28(10-8-27)13-22(30)20-6-3-16(11-25)23(26-20)32-2/h3-6,21-22,29-30H,7-10,12-14H2,1-2H3/t21-,22?/m0/s1
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| InChIKey |
BVBYURDHTLBZGE-HMTLIYDFSA-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