General Information of the Compound
| Compound ID |
CP0484190
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| Compound Name |
2-[2-[4-[2-(3-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 |
COc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)c1
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| InChI |
InChI=1S/C32H41N5O2/c1-39-28-9-6-8-26(24-28)13-19-36-20-22-37(23-21-36)31-11-3-2-10-29(31)30-25-27(12-15-33-30)32(38)34-14-7-18-35-16-4-5-17-35/h2-3,6,8-12,15,24-25H,4-5,7,13-14,16-23H2,1H3,(H,34,38)
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| InChIKey |
NCCWWPBMEWLPJJ-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