General Information of the Compound
| Compound ID |
CP0062744
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| Compound Name |
US9073853, 17
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| Formula |
C32H40N2O6
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| Molecular Weight |
548.68
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| Canonical SMILES |
CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C32H40N2O6/c1-21-17-24(5-9-28(21)40-16-14-34-30(35)11-12-31(34)36)20-33(19-23-3-6-25(7-4-23)32(37)38)22(2)26-8-10-29-27(18-26)13-15-39-29/h5,8-10,17-18,22-23,25H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t22?,23-,25-
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| InChIKey |
GOJPYQNCTKROCF-JKBWNCLQSA-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