General Information of the Compound
| Compound ID |
CP0132791
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| Compound Name |
US9073853, 16
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| Formula |
C31H37ClN2O6
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| Molecular Weight |
569.098
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| Canonical SMILES |
CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C31H37ClN2O6/c1-20(24-7-9-27-25(17-24)12-14-39-27)33(18-21-2-5-23(6-3-21)31(37)38)19-22-4-8-28(26(32)16-22)40-15-13-34-29(35)10-11-30(34)36/h4,7-9,16-17,20-21,23H,2-3,5-6,10-15,18-19H2,1H3,(H,37,38)/t20?,21-,23-
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| InChIKey |
OWWLQTWBNPDCCG-WRZFRPBISA-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