General Information of the Compound
| Compound ID |
CP0488328
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| Compound Name |
US8629158, 23
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| Structure |
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| Formula |
C25H24N4O2
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| Molecular Weight |
412.493
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(cc12)-n1ccc(OCc2ccccn2)cc1=O
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| InChI |
InChI=1S/C25H24N4O2/c1-28-22-13-18(6-7-20(22)25-21-8-5-16(27-21)12-23(25)28)29-11-9-19(14-24(29)30)31-15-17-4-2-3-10-26-17/h2-4,6-7,9-11,13-14,16,21,27H,5,8,12,15H2,1H3
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| InChIKey |
KHANLFXXTGWBLA-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