General Information of the Compound
| Compound ID |
CP0451121
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| Compound Name |
CHEMBL4859064
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| Formula |
C23H23ClFN3O
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| Molecular Weight |
411.908
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccc(F)cc12
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| InChI |
InChI=1S/C23H23ClFN3O/c1-2-19(27-23(29)13-3-5-14(24)6-4-13)22-17-10-16(11-18(17)22)28-12-26-20-8-7-15(25)9-21(20)28/h3-9,12,16-19,22H,2,10-11H2,1H3,(H,27,29)/t16-,17-,18+,19-,22+/m1/s1
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| InChIKey |
QJWFVIVYQTUNSR-MRSOFBGISA-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