General Information of the Compound
| Compound ID |
CP0543003
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| Compound Name |
CHEMBL5192130
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| Formula |
C27H25F2N5O5
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| Molecular Weight |
537.523
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| Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1cnn(C)c1
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| InChI |
InChI=1S/C27H25F2N5O5/c1-32-13-16(12-30-32)24-31-25(35)22(27(37)34(24)23-20(38-2)5-4-6-21(23)39-3)26(36)33-10-9-15(14-33)18-8-7-17(28)11-19(18)29/h4-8,11-13,15,37H,9-10,14H2,1-3H3
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| InChIKey |
QOSLQCIEROPBOY-UHFFFAOYSA-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