General Information of the Compound
| Compound ID |
CP0857169
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| Compound Name |
MOTILIN_028
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| Structure |
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| Formula |
C25H32ClFN4O
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| Molecular Weight |
459.009
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2Cl)CCN1
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| InChI |
InChI=1S/C25H32ClFN4O/c1-18-16-30(12-9-28-18)17-20-6-5-19(13-24(20)26)14-25(32)31-10-7-22(8-11-31)29-23-4-2-3-21(27)15-23/h2-6,13,15,18,22,28-29H,7-12,14,16-17H2,1H3/t18-/m0/s1
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| InChIKey |
HOTLFLYDODUURG-SFHVURJKSA-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