General Information of the Compound
| Compound ID |
CP0550562
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| Compound Name |
US9062070, 51
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| Structure |
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| Formula |
C25H26N8O3
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| Molecular Weight |
486.536
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| Canonical SMILES |
COc1cc(ccc1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C25H26N8O3/c1-26-21-6-3-16(11-22(21)35-2)23-13-31-9-10-32(12-17(31)14-36-23)25(34)19-4-7-20-18(19)5-8-24(28-20)33-15-27-29-30-33/h3,5-6,8,11,15,17,19,23H,4,7,9-10,12-14H2,2H3/t17-,19?,23+/m0/s1
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| InChIKey |
NKAWYAMXYIZJDM-MDGGQCKNSA-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