General Information of the Compound
| Compound ID |
CP0535310
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C21H23ClF3N3O3
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| Molecular Weight |
457.88
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H23ClF3N3O3/c1-30-19-13-18(26)17(22)12-16(19)20(29)31-10-9-27-5-7-28(8-6-27)15-4-2-3-14(11-15)21(23,24)25/h2-4,11-13H,5-10,26H2,1H3
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| InChIKey |
JZBQTPFUQPRRKJ-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