General Information of the Compound
| Compound ID |
CP0494824
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C22H30N6O
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| Molecular Weight |
394.523
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| Canonical SMILES |
O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C22H30N6O/c29-21(27-15-17-28(18-16-27)22-23-8-4-9-24-22)7-10-25-11-13-26(14-12-25)19-20-5-2-1-3-6-20/h1-6,8-9H,7,10-19H2
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| InChIKey |
VUYGUHTVPGIEJD-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