General Information of the Compound
| Compound ID |
CP0457326
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyridin-4-yl-piperazin-1-yl)-ethyl ester
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| Structure |
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| Formula |
C19H23ClN4O3
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| Molecular Weight |
390.871
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H23ClN4O3/c1-26-18-13-17(21)16(20)12-15(18)19(25)27-11-10-23-6-8-24(9-7-23)14-2-4-22-5-3-14/h2-5,12-13H,6-11,21H2,1H3
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| InChIKey |
VLOKQHGXTSNHQW-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