General Information of the Compound
| Compound ID |
CP0448591
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| Compound Name |
2-[2-(4-Benzyl-piperazin-1-yl)-acetylamino]-3-(1H-indol-3-yl)-N-phenethyl-propionamide
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| Structure |
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| Formula |
C32H37N5O2
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| Molecular Weight |
523.681
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| Canonical SMILES |
O=C(CN1CCN(Cc2ccccc2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C32H37N5O2/c38-31(24-37-19-17-36(18-20-37)23-26-11-5-2-6-12-26)35-30(21-27-22-34-29-14-8-7-13-28(27)29)32(39)33-16-15-25-9-3-1-4-10-25/h1-14,22,30,34H,15-21,23-24H2,(H,33,39)(H,35,38)
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| InChIKey |
ZQWJDHAPOGBGDT-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