General Information of the Compound
| Compound ID |
CP0546753
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| Compound Name |
US10022354, Example 47
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| Structure |
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| Formula |
C21H24N6O
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| Molecular Weight |
376.464
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| Canonical SMILES |
Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C1CC1)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25)
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| InChIKey |
WCOMCPYVSHGEPF-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