General Information of the Compound
| Compound ID |
CP0857935
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| Compound Name |
MOTILIN_011
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| Structure |
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| Formula |
C26H32N4O2
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| Molecular Weight |
432.568
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)CCN1
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| InChI |
InChI=1S/C26H32N4O2/c1-20-18-29(15-12-28-20)19-23-4-2-21(3-5-23)16-26(31)30-13-10-25(11-14-30)32-24-8-6-22(17-27)7-9-24/h2-9,20,25,28H,10-16,18-19H2,1H3/t20-/m1/s1
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| InChIKey |
NQGYIRXTTSSLLV-HXUWFJFHSA-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