General Information of the Compound
| Compound ID |
CP0496151
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| Compound Name |
CHEMBL1081625
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| Formula |
C25H34FN5O2
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| Molecular Weight |
455.578
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| Canonical SMILES |
Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@H]2C1
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| InChI |
InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-11-20-13-30(14-21(20)12-23)8-6-24(18-4-3-5-22(26)10-18)27-25(32)19-7-9-33-15-19/h3-5,10,19-21,23-24H,6-9,11-15H2,1-2H3,(H,27,32)/t19?,20-,21+,23+,24-/m0/s1
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| InChIKey |
FPQLFTVJQPJHLM-MCQOMSOYSA-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