General Information of the Compound
| Compound ID |
CP0184671
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| Compound Name |
methyl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
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| Structure |
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| Formula |
C33H37F2N3O4
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| Molecular Weight |
577.672
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| Canonical SMILES |
COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C33H37F2N3O4/c1-41-33(39)38(40)20-3-2-6-26-7-17-31(18-8-26)42-25-5-4-19-36-21-23-37(24-22-36)32(27-9-13-29(34)14-10-27)28-11-15-30(35)16-12-28/h7-18,32,40H,3-5,19-25H2,1H3
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| InChIKey |
QNNXKPSMUIHGIZ-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