General Information of the Compound
| Compound ID |
CP0372624
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| Compound Name |
CHEMBL1644177
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| Formula |
C31H36F3N3O4
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| Molecular Weight |
571.64
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H36F3N3O4/c1-30(2,3)24-12-8-22(9-13-24)27-18-26(21-10-14-25(15-11-21)41-31(32,33)34)36-37(27)19-20-4-6-23(7-5-20)29(40)35-17-16-28(38)39/h4-7,10-11,14-15,18,22,24H,8-9,12-13,16-17,19H2,1-3H3,(H,35,40)(H,38,39)/t22-,24-
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| InChIKey |
RLRIWRXDYMNEBK-HCGLCNNCSA-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