General Information of the Compound
| Compound ID |
CP0506988
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| Compound Name |
2-[4-chloro-3,5-bis(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H16Cl2F6N4O2
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| Molecular Weight |
505.246
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H16Cl2F6N4O2/c1-32-12-8-10(2-3-11(12)19)28-4-6-29(7-5-28)13(31)9-30-16(18(24,25)26)14(20)15(27-30)17(21,22)23/h2-3,8H,4-7,9H2,1H3
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| InChIKey |
LSDONSNNNMALIB-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