General Information of the Compound
| Compound ID |
CP0437879
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C23H31N5O/c29-23(28-18-16-27(17-19-28)22-8-4-5-10-24-22)9-11-25-12-14-26(15-13-25)20-21-6-2-1-3-7-21/h1-8,10H,9,11-20H2
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| InChIKey |
AYVKQOCRORDGIL-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