General Information of the Compound
| Compound ID |
CP0511201
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| Compound Name |
CHEMBL45199
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| Formula |
C29H38FN3O3
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| Molecular Weight |
495.639
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
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| InChI |
InChI=1S/C29H38FN3O3/c1-29(2,3)36-28(35)32-18-19-6-8-21(9-7-19)27(34)33-26-13-10-22-16-23(30)11-12-24(22)25(26)15-20-5-4-14-31-17-20/h4-5,11-12,14,16-17,19,21,25-26H,6-10,13,15,18H2,1-3H3,(H,32,35)(H,33,34)/t19-,21-,25?,26?
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| InChIKey |
DDWSIYUDPGTEJC-CZJGYAGKSA-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