General Information of the Compound
| Compound ID |
CP0551990
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| Compound Name |
(6S)-N-[3-chloro-5-(trifluoromethyl)phenyl]-20-methyl-15-oxo-2,7,16,26,30,31-hexazapentacyclo[22.5.2.12,6.117,21.027,31]tritriaconta-1(30),17(32),18,20,24,26,28-heptaen-22-yne-19-carboxamide
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| Structure |
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| Formula |
C36H37ClF3N7O2
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| Molecular Weight |
692.186
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| Canonical SMILES |
Cc1c2cc(NC(=O)CCCCCCCN[C@H]3CCCN(C3)c3ccc4ncc(C#C2)n4n3)cc1C(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C36H37ClF3N7O2/c1-23-24-10-11-30-21-42-32-12-13-33(45-47(30)32)46-15-7-8-27(22-46)41-14-6-4-2-3-5-9-34(48)43-28(16-24)20-31(23)35(49)44-29-18-25(36(38,39)40)17-26(37)19-29/h12-13,16-21,27,41H,2-9,14-15,22H2,1H3,(H,43,48)(H,44,49)/t27-/m0/s1
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| InChIKey |
KPWHILWGQVFQJF-MHZLTWQESA-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