General Information of the Compound
| Compound ID |
CP0857171
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| Compound Name |
MOTILIN_042
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| Structure |
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| Formula |
C27H35N5O
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| Molecular Weight |
445.611
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(C#N)c4)CC3)cc2)CCN1
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| InChI |
InChI=1S/C27H35N5O/c1-21-18-32(15-12-29-21)19-22-6-8-26(9-7-22)30(2)27(33)25-10-13-31(14-11-25)20-24-5-3-4-23(16-24)17-28/h3-9,16,21,25,29H,10-15,18-20H2,1-2H3/t21-/m0/s1
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| InChIKey |
NQKNKSWBDHNBHT-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