General Information of the Compound
| Compound ID |
CP0552549
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| Compound Name |
2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
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| Formula |
C32H41N5O2
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| Molecular Weight |
527.713
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| Canonical SMILES |
COc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C32H41N5O2/c1-39-28-11-9-26(10-12-28)14-20-36-21-23-37(24-22-36)31-8-3-2-7-29(31)30-25-27(13-16-33-30)32(38)34-15-6-19-35-17-4-5-18-35/h2-3,7-13,16,25H,4-6,14-15,17-24H2,1H3,(H,34,38)
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| InChIKey |
OVIXVEABOZFBNF-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