General Information of the Compound
| Compound ID |
CP0851100
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| Compound Name |
MOTILIN_067
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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(Oc4ccc(F)cc4)CC3)n2)C[C@H](C)N1
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| InChI |
InChI=1S/C26H33FN6O/c1-19-16-31(17-20(2)29-19)18-22-9-15-33(30-22)25-4-3-12-28-26(25)32-13-10-24(11-14-32)34-23-7-5-21(27)6-8-23/h3-9,12,15,19-20,24,29H,10-11,13-14,16-18H2,1-2H3/t19-,20+
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| InChIKey |
RYVDHQJKSJOJSK-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