General Information of the Compound
| Compound ID |
CP0274376
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| Compound Name |
3-[2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C32H40N4O
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| Molecular Weight |
496.699
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| Canonical SMILES |
O=C(NCCCN1CCCC1)c1cccc(c1)-c1ccccc1N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C32H40N4O/c37-32(33-17-9-20-34-18-6-7-19-34)29-13-8-12-28(26-29)30-14-4-5-15-31(30)36-24-22-35(23-25-36)21-16-27-10-2-1-3-11-27/h1-5,8,10-15,26H,6-7,9,16-25H2,(H,33,37)
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| InChIKey |
KYBJZXMGLXKKJC-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