General Information of the Compound
| Compound ID |
CP0482689
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| Compound Name |
US9586948, Example 40
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| Structure |
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| Formula |
C25H32N8O2
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| Molecular Weight |
476.585
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| Canonical SMILES |
CN(C)CCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
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| InChI |
InChI=1S/C25H32N8O2/c1-32(2)13-5-11-27-25(35)23-21(16-33(3)31-23)30-24(34)20-7-4-6-19(29-20)18-10-12-26-22(14-18)28-15-17-8-9-17/h4,6-7,10,12,14,16-17H,5,8-9,11,13,15H2,1-3H3,(H,26,28)(H,27,35)(H,30,34)
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| InChIKey |
RLELEERFDZWKND-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