General Information of the Compound
| Compound ID |
CP0537728
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| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1-benzothiophen-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C33H38N4O3S
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| Molecular Weight |
570.759
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1csc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C33H38N4O3S/c1-25(38)37(21-26-10-6-8-14-31(26)40-2)22-28(20-27-24-41-32-15-9-7-13-30(27)32)34-33(39)23-35-16-18-36(19-17-35)29-11-4-3-5-12-29/h3-15,24,28H,16-23H2,1-2H3,(H,34,39)
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| InChIKey |
RLZAHUJYUFOJFC-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