General Information of the Compound
| Compound ID |
CP0424201
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| Compound Name |
US9062070, 66
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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]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C26H27N7O4/c1-15-17(2-3-20-21(15)13-37-26(20)35)23-11-31-8-9-32(10-16(31)12-36-23)25(34)19-4-6-22-18(19)5-7-24(28-22)33-14-27-29-30-33/h2-3,5,7,14,16,19,23H,4,6,8-13H2,1H3/t16-,19?,23-/m0/s1
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| InChIKey |
NOMFMWPSRVFTCH-BBXWKJALSA-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