General Information of the Compound
| Compound ID |
CP0556692
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| Compound Name |
US9586948, Example 17
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| Structure |
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| Formula |
C22H25N7O3
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| Molecular Weight |
435.488
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
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| InChI |
InChI=1S/C22H25N7O3/c1-29-13-18(20(28-29)21(23)30)27-22(31)17-4-2-3-16(26-17)15-5-8-24-19(11-15)25-12-14-6-9-32-10-7-14/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,23,30)(H,24,25)(H,27,31)
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| InChIKey |
INTFQTHMHJDKBR-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