General Information of the Compound
| Compound ID |
CP0077766
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| Compound Name |
CHEMBL216976
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| Formula |
C25H36N4O4
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| Molecular Weight |
456.587
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| Canonical SMILES |
CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2
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| InChI |
InChI=1S/C25H36N4O4/c1-24(2,33-21-4-3-19(15-27-21)29-5-7-32-8-6-29)23(31)28-22-17-9-16-10-18(22)13-25(11-16,12-17)14-20(26)30/h3-4,15-18,22H,5-14H2,1-2H3,(H2,26,30)(H,28,31)/t16-,17-,18?,22+,25+/m0/s1
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| InChIKey |
PZSFNOREFIEVJQ-GZHLDQJQSA-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