General Information of the Compound
| Compound ID |
CP0003859
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| Compound Name |
US9777008, Compound 205
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
Cn1ncc2ccc(cc12)-c1cc(NCC(O)CN2CCc3ccccc3C2)ncn1
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| InChI |
InChI=1S/C24H26N6O/c1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30/h2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27)
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| InChIKey |
VOJDZJGLSUFEGA-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