General Information of the Compound
| Compound ID |
CP0408924
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| Compound Name |
US10022352, Compound 319
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| Structure |
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| Formula |
C28H36N2O4
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| Molecular Weight |
464.606
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| Canonical SMILES |
COc1ccc(cc1)C1(CC1(C)C)C(=O)Nc1ccc2n(C[C@@H](O)CO)c(cc2c1)C(C)(C)C
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| InChI |
InChI=1S/C28H36N2O4/c1-26(2,3)24-14-18-13-20(9-12-23(18)30(24)15-21(32)16-31)29-25(33)28(17-27(28,4)5)19-7-10-22(34-6)11-8-19/h7-14,21,31-32H,15-17H2,1-6H3,(H,29,33)/t21-,28?/m1/s1
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| InChIKey |
PHOBEWKRVYAPEY-IHKRANBOSA-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