General Information of the Compound
| Compound ID |
CP0554802
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| Compound Name |
US9493412, 214
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| Structure |
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| Formula |
C21H22Cl2N4O3
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| Molecular Weight |
449.338
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| Canonical SMILES |
CCN1CC(C(=O)NCC2CCc3cnc(-c4ccc(Cl)c(Cl)c4)n3C2)=C(O)C1=O
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| InChI |
InChI=1S/C21H22Cl2N4O3/c1-2-26-11-15(18(28)21(26)30)20(29)25-8-12-3-5-14-9-24-19(27(14)10-12)13-4-6-16(22)17(23)7-13/h4,6-7,9,12,28H,2-3,5,8,10-11H2,1H3,(H,25,29)
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| InChIKey |
GFYFANNZLBRIJS-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