General Information of the Compound
| Compound ID |
CP0474124
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| Compound Name |
N-[[1-[[1-(5-tert-butylpyridin-2-yl)pyrrol-3-yl]methyl]azetidin-3-yl]methyl]-2-(3-methylphenoxy)acetamide
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| Structure |
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
Cc1cccc(OCC(=O)NCC2CN(Cc3ccn(c3)-c3ccc(cn3)C(C)(C)C)C2)c1
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| InChI |
InChI=1S/C27H34N4O2/c1-20-6-5-7-24(12-20)33-19-26(32)29-13-22-16-30(17-22)15-21-10-11-31(18-21)25-9-8-23(14-28-25)27(2,3)4/h5-12,14,18,22H,13,15-17,19H2,1-4H3,(H,29,32)
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| InChIKey |
RZRDGTCWTQRVAM-UHFFFAOYSA-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