General Information of the Compound
| Compound ID |
CP0503317
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-(3-fluorobenzyloxy)phenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C27H24ClFN4O2
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| Molecular Weight |
490.966
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| Canonical SMILES |
Fc1cccc(COc2ccccc2N2CCN(CC2)C(=O)c2cc(n[nH]2)-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C27H24ClFN4O2/c28-21-10-8-20(9-11-21)23-17-24(31-30-23)27(34)33-14-12-32(13-15-33)25-6-1-2-7-26(25)35-18-19-4-3-5-22(29)16-19/h1-11,16-17H,12-15,18H2,(H,30,31)
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| InChIKey |
LUMGDOAZBANGEZ-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