General Information of the Compound
| Compound ID |
CP0573520
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| Compound Name |
US11566028, Example 63
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| Structure |
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| Formula |
C23H25N7O3
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| Molecular Weight |
447.499
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| Canonical SMILES |
CNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(c3)C(C)C)c(O[C@H]3CCOC3)nc12
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| InChI |
InChI=1S/C23H25N7O3/c1-14(2)29-11-17(9-26-29)20-12-30-21(28-23(20)33-18-4-5-32-13-18)19(10-27-30)15-6-16(8-25-7-15)22(31)24-3/h6-12,14,18H,4-5,13H2,1-3H3,(H,24,31)/t18-/m0/s1
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| InChIKey |
XKKGIGFZDVPVNO-SFHVURJKSA-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