General Information of the Compound
| Compound ID |
CP0553738
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| Compound Name |
CHEMBL373824
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| Formula |
C30H35F3N4O5
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| Molecular Weight |
588.627
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1C#N
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| InChI |
InChI=1S/C30H35F3N4O5/c1-29(2,3)22-8-10-23(11-9-22)37(18-19-4-6-20(7-5-19)27(40)35-15-14-26(38)39)28(41)36-25-13-12-24(16-21(25)17-34)42-30(31,32)33/h4-7,12-13,16,22-23H,8-11,14-15,18H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t22-,23-
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| InChIKey |
UGTIQFABJZUTBQ-YHBQERECSA-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