General Information of the Compound
| Compound ID |
CP0532309
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| Compound Name |
methyl 3-[[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C23H33N3O3
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| Molecular Weight |
399.535
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)c1
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| InChI |
InChI=1S/C23H33N3O3/c1-29-22(27)19-10-7-11-21(16-19)25-23(28)24-20-12-14-26(15-13-20)17-18-8-5-3-2-4-6-9-18/h7-8,10-11,16,20H,2-6,9,12-15,17H2,1H3,(H2,24,25,28)/b18-8+
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| InChIKey |
RXRCNBDAXTXFBE-QGMBQPNBSA-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