General Information of the Compound
| Compound ID |
CP0461031
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(2-chloro-pyrimidin-5-yl)-piperazin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C18H21Cl2N5O3
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| Molecular Weight |
426.304
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cnc(Cl)nc1
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| InChI |
InChI=1S/C18H21Cl2N5O3/c1-27-16-9-15(21)14(19)8-13(16)17(26)28-7-6-24-2-4-25(5-3-24)12-10-22-18(20)23-11-12/h8-11H,2-7,21H2,1H3
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| InChIKey |
RDXUUJHSZMORHR-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