General Information of the Compound
| Compound ID |
CP0419941
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| Compound Name |
US9139585, 13
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| Structure |
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| Formula |
C26H27N7O4
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| Molecular Weight |
501.547
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1C1CCC2N1C(=O)c1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C26H27N7O4/c1-14-16(3-4-17-18(14)12-37-26(17)36)23(34)11-31-19-5-6-20(31)22-8-7-21(19)33(22)25(35)15-2-9-24(27-10-15)32-13-28-29-30-32/h2-4,9-10,13,19-23,34H,5-8,11-12H2,1H3/t19?,20?,21?,22?,23-/m0/s1
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| InChIKey |
KHFHIKDBTAMZLO-IMOXWJRASA-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