General Information of the Compound
| Compound ID |
CP0411240
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| Compound Name |
CHEMBL3237891
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| Formula |
C30H34F3N3O5
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| Molecular Weight |
573.612
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H34F3N3O5/c1-28(2,3)22-12-15-29(16-13-22)35-25(20-8-10-23(11-9-20)41-30(31,32)33)27(40)36(29)18-19-4-6-21(7-5-19)26(39)34-17-14-24(37)38/h4-11,22H,12-18H2,1-3H3,(H,34,39)(H,37,38)/t22-,29-
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| InChIKey |
WNUCRJQFTDHZRQ-FXBOJIBUSA-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