General Information of the Compound
| Compound ID |
CP0479175
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| Compound Name |
US8969325, 8
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
CCN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4ccccc34)cccc12
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| InChI |
InChI=1S/C22H26N4O3/c1-4-26-18-10-7-9-16(15(18)13-23-21(26)28)24-20(27)25-17-12-22(2,3)29-19-11-6-5-8-14(17)19/h5-11,17H,4,12-13H2,1-3H3,(H,23,28)(H2,24,25,27)/t17-/m1/s1
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| InChIKey |
KMJYQUNTKURGLZ-QGZVFWFLSA-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