General Information of the Compound
| Compound ID |
CP0575415
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| Compound Name |
CHEMBL5173464
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| Formula |
C27H26FN5O5
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| Molecular Weight |
519.533
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| Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1
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| InChI |
InChI=1S/C27H26FN5O5/c1-31-13-12-19(30-31)24-29-25(34)22(27(36)33(24)23-20(37-2)9-6-10-21(23)38-3)26(35)32-14-11-16(15-32)17-7-4-5-8-18(17)28/h4-10,12-13,16,36H,11,14-15H2,1-3H3/t16-/m0/s1
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| InChIKey |
XIBSPHIVDWNSTQ-INIZCTEOSA-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