General Information of the Compound
| Compound ID |
CP0550539
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| Compound Name |
CHEMBL5175296
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| Formula |
C25H23ClF2N6O3
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| Molecular Weight |
528.947
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(n3)C(F)F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
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| InChI |
InChI=1S/C25H23ClF2N6O3/c1-30-25-31-9-14-7-17(24(35)34(23(14)33-25)10-21-36-11-15(29)12-37-21)16-6-5-13(8-18(16)26)19-3-2-4-20(32-19)22(27)28/h2-9,15,21-22H,10-12,29H2,1H3,(H,30,31,33)/t15-,21-
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| InChIKey |
SPTBMDXMZIQSLW-WEHONNDLSA-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