General Information of the Compound
Compound ID |
CP0577325
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Compound Name |
CHEMBL5190259
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Formula |
C27H28F3N3O5
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Molecular Weight |
531.531
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Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(=O)nc1CCCC(F)(F)F
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InChI |
InChI=1S/C27H28F3N3O5/c1-37-19-10-6-11-20(38-2)23(19)33-21(12-7-14-27(28,29)30)31-24(34)22(26(33)36)25(35)32-15-13-18(16-32)17-8-4-3-5-9-17/h3-6,8-11,18,36H,7,12-16H2,1-2H3/t18-/m0/s1
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InChIKey |
CZZPPQVNWQRGIE-SFHVURJKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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