General Information of the Compound
| Compound ID |
CP0569756
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| Compound Name |
5-[2-[1-(2-cyanoacetyl)azetidin-3-yl]oxyphenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
O=C(CC#N)N1CC(C1)Oc1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
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| InChI |
InChI=1S/C25H29N5O3/c26-9-8-24(31)30-17-21(18-30)33-23-7-2-1-6-22(23)19-14-20(16-27-15-19)25(32)28-10-5-13-29-11-3-4-12-29/h1-2,6-7,14-16,21H,3-5,8,10-13,17-18H2,(H,28,32)
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| InChIKey |
QALZHCHWAPYCED-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