General Information of the Compound
| Compound ID |
CP0572563
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| Compound Name |
US8772323, 234
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCCCCN2C)cc1
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| InChI |
InChI=1S/C26H30N4O3/c1-3-17-16-23(31)28-29-25(17)19-10-13-21-22(15-19)33-26(27-21)18-8-11-20(12-9-18)32-24-7-5-4-6-14-30(24)2/h8-13,15,17,24H,3-7,14,16H2,1-2H3,(H,28,31)
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| InChIKey |
NXCSJRUNULLJQO-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