General Information of the Compound
| Compound ID |
CP0406290
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| Compound Name |
N-[1-(1H-indol-3-yl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C32H39N5O4S
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| Molecular Weight |
589.762
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H39N5O4S/c1-41-31-15-9-6-10-25(31)22-37(42(2,39)40)23-27(20-26-21-33-30-14-8-7-13-29(26)30)34-32(38)24-35-16-18-36(19-17-35)28-11-4-3-5-12-28/h3-15,21,27,33H,16-20,22-24H2,1-2H3,(H,34,38)
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| InChIKey |
SPAGCMPPUGYUHY-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