General Information of the Compound
| Compound ID |
CP0414510
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| Compound Name |
US9409915, 54
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| Structure |
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| Formula |
C26H30Cl2N6O2
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| Molecular Weight |
529.472
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(OCCN3CCOCC3)c2[nH]1)-c1ccccc1Cl)C(C)(C)C
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| InChI |
InChI=1S/C26H30Cl2N6O2/c1-26(2,3)23-20(28)22(33(4)32-23)24-29-19-15-18(16-7-5-6-8-17(16)27)30-25(21(19)31-24)36-14-11-34-9-12-35-13-10-34/h5-8,15H,9-14H2,1-4H3,(H,29,31)
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| InChIKey |
QRUJHRYDUCDMCC-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