General Information of the Compound
| Compound ID |
CP0549443
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| Compound Name |
CHEMBL3126038
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| Formula |
C23H25F2N3O2
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| Molecular Weight |
413.468
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| Canonical SMILES |
CN(C(=O)[C@@H]1CC[C@@H](CC1)N1CCCC1=O)c1ccc(cn1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C23H25F2N3O2/c1-27(21-9-6-16(14-26-21)17-11-18(24)13-19(25)12-17)23(30)15-4-7-20(8-5-15)28-10-2-3-22(28)29/h6,9,11-15,20H,2-5,7-8,10H2,1H3/t15-,20+
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| InChIKey |
SHHLAOFRYFMPJR-GSXCWMCISA-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