General Information of the Compound
| Compound ID |
CP0857174
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| Compound Name |
MOTILIN_064
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| Structure |
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| Formula |
C29H34FN5O
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| Molecular Weight |
487.623
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1
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| InChI |
InChI=1S/C29H34FN5O/c1-21-19-34(18-15-31-21)20-22-4-6-23(7-5-22)27-3-2-14-32-28(27)29(36)35-16-12-26(13-17-35)33-25-10-8-24(30)9-11-25/h2-11,14,21,26,31,33H,12-13,15-20H2,1H3/t21-/m0/s1
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| InChIKey |
TXWLNVBMNWSDCA-NRFANRHFSA-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