General Information of the Compound
| Compound ID |
CP0952069
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| Compound Name |
MOTILIN_066
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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(Oc4cccc(F)c4)CC3)n2)C[C@H](C)N1
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| InChI |
InChI=1S/C26H33FN6O/c1-19-16-31(17-20(2)29-19)18-22-8-14-33(30-22)25-7-4-11-28-26(25)32-12-9-23(10-13-32)34-24-6-3-5-21(27)15-24/h3-8,11,14-15,19-20,23,29H,9-10,12-13,16-18H2,1-2H3/t19-,20+
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| InChIKey |
NOTFFCKUUDKZHY-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