General Information of the Compound
| Compound ID |
CP0471088
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| Compound Name |
CHEMBL4854289
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| Formula |
C23H29FN4O
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| Molecular Weight |
396.51
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| Canonical SMILES |
Fc1cccc(c1)-c1ccc(N[C@@H]2C[C@H]3CN(CC4CCOCC4)C[C@H]3C2)nn1
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| InChI |
InChI=1S/C23H29FN4O/c24-20-3-1-2-17(10-20)22-4-5-23(27-26-22)25-21-11-18-14-28(15-19(18)12-21)13-16-6-8-29-9-7-16/h1-5,10,16,18-19,21H,6-9,11-15H2,(H,25,27)/t18-,19+,21+
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| InChIKey |
HGKVEYSPTSSRAG-KXTWHKPSSA-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