General Information of the Compound
| Compound ID |
CP0488832
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| Compound Name |
US9062070, 101
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| Structure |
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| Formula |
C26H28N8O3
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| Molecular Weight |
500.563
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C26H28N8O3/c1-15-18(4-5-20-22(15)13-37-26(20)36)23-12-32-6-7-33(11-17(32)9-27-23)25(35)19-3-2-16-8-24(28-10-21(16)19)34-14-29-30-31-34/h4-5,8,10,14,17,19,23,27H,2-3,6-7,9,11-13H2,1H3/t17-,19?,23-/m1/s1
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| InChIKey |
KAIVPFKYDYSHMJ-QKLBRSPYSA-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