General Information of the Compound
| Compound ID |
CP0459907
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| Compound Name |
US9493412, 157
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| Structure |
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| Formula |
C19H21Cl2N3O4
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| Molecular Weight |
426.3
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| Canonical SMILES |
CN1CC(C(=O)NCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C19H21Cl2N3O4/c1-23-10-13(16(25)19(23)28)17(26)22-9-11-4-6-24(7-5-11)18(27)12-2-3-14(20)15(21)8-12/h2-3,8,11,25H,4-7,9-10H2,1H3,(H,22,26)
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| InChIKey |
XHFYDOOANISKRL-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