General Information of the Compound
Compound ID |
CP0425841
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Compound Name |
(E)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
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Formula |
C23H24ClFN6O
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Molecular Weight |
454.937
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Canonical SMILES |
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
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InChI |
InChI=1S/C23H24ClFN6O/c1-17-26-28-31(27-17)16-20-14-21(24)6-4-19(20)5-9-23(32)30-12-10-29(11-13-30)15-18-2-7-22(25)8-3-18/h2-9,14H,10-13,15-16H2,1H3/b9-5+
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InChIKey |
JMNOETGIZBZDHS-WEVVVXLNSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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