General Information of the Compound
| Compound ID |
CP0141090
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| Compound Name |
(4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyridin-2-yl)-2,6-dimethylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C18H21Cl2N5O
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| Molecular Weight |
394.306
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
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| InChI |
InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
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| InChIKey |
IQEKKNIHTWIEQT-PHIMTYICSA-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