General Information of the Compound
| Compound ID |
CP0563492
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| Compound Name |
US10022354, Example 69
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C27H30N6O/c1-18(2)24-13-26(31-30-24)27(34)32-10-9-21(16-32)25-12-22(11-19(3)29-25)23-14-28-33(17-23)15-20-7-5-4-6-8-20/h4-8,11-14,17-18,21H,9-10,15-16H2,1-3H3,(H,30,31)
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| InChIKey |
ZMMWAYLSGNDHBJ-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