General Information of the Compound
| Compound ID |
CP0857173
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| Compound Name |
MOTILIN_063
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| Structure |
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| Formula |
C29H35F2N5O2S
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| Molecular Weight |
555.695
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(-c3cccnc3S(=O)(=O)N3CCC(Nc4ccccc4F)CC3)cc2F)C[C@H](C)N1
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| InChI |
InChI=1S/C29H35F2N5O2S/c1-20-17-35(18-21(2)33-20)19-23-10-9-22(16-27(23)31)25-6-5-13-32-29(25)39(37,38)36-14-11-24(12-15-36)34-28-8-4-3-7-26(28)30/h3-10,13,16,20-21,24,33-34H,11-12,14-15,17-19H2,1-2H3/t20-,21+
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| InChIKey |
ZEHHXSJALXOZOS-OYRHEFFESA-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