General Information of the Compound
| Compound ID |
CP0578549
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| Compound Name |
CHEMBL5184730
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| Formula |
C29H25F2N3O5
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| Molecular Weight |
533.531
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| Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H25F2N3O5/c1-38-22-8-5-9-23(39-2)25(22)34-26(17-10-12-19(30)13-11-17)32-27(35)24(29(34)37)28(36)33-15-14-18(16-33)20-6-3-4-7-21(20)31/h3-13,18,37H,14-16H2,1-2H3/t18-/m0/s1
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| InChIKey |
SMGFVYRLURYNSF-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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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