General Information of the Compound
| Compound ID |
CP0457087
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| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-phenylpropan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1ccccc1)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C31H38N4O3/c1-25(36)35(22-27-13-9-10-16-30(27)38-2)23-28(21-26-11-5-3-6-12-26)32-31(37)24-33-17-19-34(20-18-33)29-14-7-4-8-15-29/h3-16,28H,17-24H2,1-2H3,(H,32,37)
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| InChIKey |
IBWUZTJASHTQDR-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