General Information of the Compound
| Compound ID |
CP0437576
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| Compound Name |
US8618299, 9
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| Structure |
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| Formula |
C26H25ClN4O
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| Molecular Weight |
444.966
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| Canonical SMILES |
Cn1c2C3CCCCN3CCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C26H25ClN4O/c1-29-24-15-19(31-13-9-17(14-25(31)32)22-8-5-18(27)16-28-22)6-7-20(24)21-10-12-30-11-3-2-4-23(30)26(21)29/h5-9,13-16,23H,2-4,10-12H2,1H3
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| InChIKey |
JAODYBYNSCOYFY-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