General Information of the Compound
| Compound ID |
CP0532941
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| Compound Name |
(E)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[4-(4-fluorobenzoyl)piperazin-1-yl]prop-2-en-1-one
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| Formula |
C23H22ClFN6O2
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| Molecular Weight |
468.92
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| Canonical SMILES |
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(F)cc2)n1
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| InChI |
InChI=1S/C23H22ClFN6O2/c1-16-26-28-31(27-16)15-19-14-20(24)6-2-17(19)5-9-22(32)29-10-12-30(13-11-29)23(33)18-3-7-21(25)8-4-18/h2-9,14H,10-13,15H2,1H3/b9-5+
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| InChIKey |
AVBFNSZQGFIAMU-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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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