General Information of the Compound
| Compound ID |
CP0455172
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| Compound Name |
methyl 4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate
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| Structure |
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| Formula |
C30H35NO3
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| Molecular Weight |
457.614
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| Canonical SMILES |
COC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H35NO3/c1-34-29(32)25-17-15-24(16-18-25)10-8-9-21-31-22-19-28(20-23-31)30(33,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,33H,8-10,19-23H2,1H3
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| InChIKey |
KIZHXXNZJUOENQ-UHFFFAOYSA-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