General Information of the Compound
| Compound ID |
CP0357896
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| Compound Name |
5-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C33H38N6O2
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| Molecular Weight |
550.707
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| Canonical SMILES |
O=C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
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| InChI |
InChI=1S/C33H38N6O2/c40-32(21-26-24-36-30-10-3-1-8-28(26)30)39-18-16-38(17-19-39)31-11-4-2-9-29(31)25-20-27(23-34-22-25)33(41)35-12-7-15-37-13-5-6-14-37/h1-4,8-11,20,22-24,36H,5-7,12-19,21H2,(H,35,41)
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| InChIKey |
LQCHLDUASAOIMJ-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