General Information of the Compound
| Compound ID |
CP0491355
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| Compound Name |
US8927539, 10
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| Structure |
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| Formula |
C31H36N2O4
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| Molecular Weight |
500.639
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| Canonical SMILES |
CC(C)(O)CC1(CCN(C(=O)O1)C(C)(C)c1ccc(cc1)-c1ccn(C2CC2)c(=O)c1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2O4/c1-29(2,36)21-31(25-8-6-5-7-9-25)17-19-33(28(35)37-31)30(3,4)24-12-10-22(11-13-24)23-16-18-32(26-14-15-26)27(34)20-23/h5-13,16,18,20,26,36H,14-15,17,19,21H2,1-4H3
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| InChIKey |
IHFKVAIBKDVABV-UHFFFAOYSA-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