General Information of the Compound
| Compound ID |
CP0572681
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| Compound Name |
2-(azepan-1-yl)-N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
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| Structure |
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| Formula |
C27H41N3O8
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| Molecular Weight |
535.638
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| Canonical SMILES |
O[C@H]([C@@H](O)C(O)=O)C(O)=O.O=C(CN1CCCCCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C23H35N3O2.C4H6O6/c27-23(18-25-14-3-1-2-4-15-25)24-19-8-10-21(11-9-19)28-22-12-16-26(17-13-22)20-6-5-7-20;5-1(3(7)8)2(6)4(9)10/h8-11,20,22H,1-7,12-18H2,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
DXUYBCGTCCFLKP-LREBCSMRSA-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