General Information of the Compound
| Compound ID |
CP0476236
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methylphenyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
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| Structure |
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| Formula |
C23H35N3O2
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| Molecular Weight |
385.552
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| Canonical SMILES |
C[C@@H]1CCCN1CC(=O)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1C
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| InChI |
InChI=1S/C23H35N3O2/c1-17-15-21(28-20-10-13-25(14-11-20)19-6-3-7-19)8-9-22(17)24-23(27)16-26-12-4-5-18(26)2/h8-9,15,18-20H,3-7,10-14,16H2,1-2H3,(H,24,27)/t18-/m1/s1
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| InChIKey |
VUXSSTNMCQWMII-GOSISDBHSA-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