General Information of the Compound
| Compound ID |
CP0957587
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| Compound Name |
MOTILIN_062
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| Structure |
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| Formula |
C27H34FN5S
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| Molecular Weight |
479.669
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@H](C)N1
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| InChI |
InChI=1S/C27H34FN5S/c1-19-16-32(17-20(2)30-19)18-24-9-10-26(34-24)25-4-3-13-29-27(25)33-14-11-23(12-15-33)31-22-7-5-21(28)6-8-22/h3-10,13,19-20,23,30-31H,11-12,14-18H2,1-2H3/t19-,20+
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| InChIKey |
PXHGUNWOKOBEKV-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