General Information of the Compound
| Compound ID |
CP0576847
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| Compound Name |
US9428456, 4.015
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| Structure |
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| Formula |
C25H34N4O3
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| Molecular Weight |
438.572
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| Canonical SMILES |
COc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)N(C)CC(C)C)c1
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| InChI |
InChI=1S/C25H34N4O3/c1-18(2)16-28(3)25(31)20-8-10-29(11-9-20)17-19-6-5-7-22(12-19)27-24(30)21-13-23(32-4)15-26-14-21/h5-7,12-15,18,20H,8-11,16-17H2,1-4H3,(H,27,30)
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| InChIKey |
OHWXBAAFSYKRTN-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