General Information of the Compound
| Compound ID |
CP0954968
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| Compound Name |
MOTILIN_048
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| Structure |
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| Formula |
C28H28F3N3O2
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| Molecular Weight |
495.545
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)CCN1
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| InChI |
InChI=1S/C28H28F3N3O2/c1-19-17-34(16-15-32-19)18-20-3-13-25(14-4-20)33(2)27(36)23-7-5-21(6-8-23)26(35)22-9-11-24(12-10-22)28(29,30)31/h3-14,19,32H,15-18H2,1-2H3/t19-/m0/s1
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| InChIKey |
ZTEGNLCQVKPVQP-IBGZPJMESA-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