General Information of the Compound
| Compound ID |
CP0357898
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| Compound Name |
5-[2-[1-[2-(3,4-dichlorophenyl)acetyl]azetidin-3-yl]oxyphenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C30H32Cl2N4O3
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| Molecular Weight |
567.517
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| Canonical SMILES |
Clc1ccc(CC(=O)N2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C30H32Cl2N4O3/c31-26-9-8-21(14-27(26)32)15-29(37)36-19-24(20-36)39-28-7-2-1-6-25(28)22-16-23(18-33-17-22)30(38)34-10-5-13-35-11-3-4-12-35/h1-2,6-9,14,16-18,24H,3-5,10-13,15,19-20H2,(H,34,38)
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| InChIKey |
XBRQQAVKEBTBHO-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