General Information of the Compound
| Compound ID |
CP0461466
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| Compound Name |
[4-[4-[(Z)-C-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
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| Structure |
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| Formula |
C31H42BrN3O2
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| Molecular Weight |
568.6
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N\OC(C)(C)C)\c1ccc(Br)cc1
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| InChI |
InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+
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| InChIKey |
RYDCEMWPUOVZIA-PJJLUWSFSA-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