General Information of the Compound
| Compound ID |
CP0574699
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| Compound Name |
US8772323, 239
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@H]2CCCN2)cc1
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| InChI |
InChI=1S/C24H26N4O3/c1-2-15-13-22(29)27-28-23(15)17-7-10-20-21(12-17)31-24(26-20)16-5-8-19(9-6-16)30-14-18-4-3-11-25-18/h5-10,12,15,18,25H,2-4,11,13-14H2,1H3,(H,27,29)/t15?,18-/m1/s1
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| InChIKey |
TZFVSGPYEQJXKV-KPMSDPLLSA-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