General Information of the Compound
| Compound ID |
CP0482687
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| Compound Name |
US9586948, Example 36
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| Structure |
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| Formula |
C24H25N9O2
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| Molecular Weight |
471.525
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ncc[nH]1
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| InChI |
InChI=1S/C24H25N9O2/c1-33-14-19(22(32-33)24(35)29-13-21-26-9-10-27-21)31-23(34)18-4-2-3-17(30-18)16-7-8-25-20(11-16)28-12-15-5-6-15/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28)(H,26,27)(H,29,35)(H,31,34)
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| InChIKey |
WSGGEYUNGXSNTI-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