General Information of the Compound
| Compound ID |
CP0916581
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| Compound Name |
MOTILIN_041
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| Structure |
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| Formula |
C24H26FN5O2
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| Molecular Weight |
435.503
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1
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| InChI |
InChI=1S/C24H26FN5O2/c1-17-15-30(12-11-26-17)16-18-3-9-22(27-13-18)29(2)24(31)19-4-10-23(28-14-19)32-21-7-5-20(25)6-8-21/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1
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| InChIKey |
NDSYXEHBPYYHQW-KRWDZBQOSA-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