General Information of the Compound
| Compound ID |
CP0389678
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| Compound Name |
CHEMBL4169168
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| Formula |
C22H23F3N4O4
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| Molecular Weight |
464.444
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| Canonical SMILES |
CC1(CC1)OC(=O)N1C[C@@H]2COC[C@H](C1)[C@H]2Oc1ncnc(Nc2c(F)cccc2F)c1F
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| InChI |
InChI=1S/C22H23F3N4O4/c1-22(5-6-22)33-21(30)29-7-12-9-31-10-13(8-29)18(12)32-20-16(25)19(26-11-27-20)28-17-14(23)3-2-4-15(17)24/h2-4,11-13,18H,5-10H2,1H3,(H,26,27,28)/t12-,13+,18+
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| InChIKey |
WPBWQZUJTCIISQ-MCBXIFIFSA-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