General Information of the Compound
| Compound ID |
CP0522808
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| Compound Name |
US10022352, Compound 307
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| Structure |
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| Formula |
C28H34N2O3
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| Molecular Weight |
446.591
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| Canonical SMILES |
CC(C)(C)c1cc2cc(NC(=O)C3(CC3)c3ccc4CCCc4c3)ccc2n1C[C@@H](O)CO
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| InChI |
InChI=1S/C28H34N2O3/c1-27(2,3)25-15-20-14-22(9-10-24(20)30(25)16-23(32)17-31)29-26(33)28(11-12-28)21-8-7-18-5-4-6-19(18)13-21/h7-10,13-15,23,31-32H,4-6,11-12,16-17H2,1-3H3,(H,29,33)/t23-/m1/s1
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| InChIKey |
KVZMYJRGSRFFDD-HSZRJFAPSA-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