General Information of the Compound
| Compound ID |
CP0558462
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| Compound Name |
1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
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| Structure |
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| Formula |
C19H21Cl2F3N4O2
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| Molecular Weight |
465.303
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN([C@@H](C)C1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
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| InChI |
InChI=1S/C19H21Cl2F3N4O2/c1-11-9-26(13-4-5-14(20)15(8-13)30-3)6-7-27(11)16(29)10-28-12(2)17(21)18(25-28)19(22,23)24/h4-5,8,11H,6-7,9-10H2,1-3H3/t11-/m0/s1
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| InChIKey |
AVNJJXHDGSMSJP-NSHDSACASA-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