General Information of the Compound
| Compound ID |
CP0857939
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| Compound Name |
MOTILIN_051
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
462.569
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| Canonical SMILES |
COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
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| InChI |
InChI=1S/C27H31FN4O2/c1-20-18-31(13-12-29-20)19-21-6-9-25(10-7-21)32(14-15-34-2)27(33)23-8-11-26(30-17-23)22-4-3-5-24(28)16-22/h3-11,16-17,20,29H,12-15,18-19H2,1-2H3/t20-/m0/s1
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| InChIKey |
XGSXSNHFZRMBKK-FQEVSTJZSA-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