General Information of the Compound
| Compound ID |
CP0921487
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| Compound Name |
MOTILIN_065
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| Structure |
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| Formula |
C26H33FN6O
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| Molecular Weight |
464.589
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@H](C)N1
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| InChI |
InChI=1S/C26H33FN6O/c1-19-16-31(17-20(2)29-19)18-21-9-15-33(30-21)24-7-5-12-28-26(24)32-13-10-22(11-14-32)34-25-8-4-3-6-23(25)27/h3-9,12,15,19-20,22,29H,10-11,13-14,16-18H2,1-2H3/t19-,20+
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| InChIKey |
UTYHBMHIEFMPCP-BGYRXZFFSA-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