General Information of the Compound
| Compound ID |
CP0441835
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| Compound Name |
US9493412, 21
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| Structure |
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| Formula |
C21H24Cl2N4O4
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| Molecular Weight |
467.353
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| Canonical SMILES |
CC(C)CN1CC(C(=O)NCCCCc2nc(no2)-c2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C21H24Cl2N4O4/c1-12(2)10-27-11-14(18(28)21(27)30)20(29)24-8-4-3-5-17-25-19(26-31-17)13-6-7-15(22)16(23)9-13/h6-7,9,12,28H,3-5,8,10-11H2,1-2H3,(H,24,29)
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| InChIKey |
BBQNZVIUVLVRQA-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