General Information of the Compound
| Compound ID |
CP0568788
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| Compound Name |
CHEMBL5194644
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| Formula |
C25H24ClFN6O3
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| Molecular Weight |
510.957
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3nc(C)ccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
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| InChI |
InChI=1S/C25H24ClFN6O3/c1-13-3-6-20(27)22(31-13)14-4-5-17(19(26)8-14)18-7-15-9-30-25(29-2)32-23(15)33(24(18)34)10-21-35-11-16(28)12-36-21/h3-9,16,21H,10-12,28H2,1-2H3,(H,29,30,32)/t16-,21-
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| InChIKey |
PTVQIBSBMWRMNS-OQIWPSSASA-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