General Information of the Compound
| Compound ID |
CP0409169
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| Compound Name |
methyl 2-[[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-[(2-methoxyphenyl)methyl]amino]acetate
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| Structure |
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| Formula |
C34H41N5O4
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| Molecular Weight |
583.733
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| Canonical SMILES |
COC(=O)CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC
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| InChI |
InChI=1S/C34H41N5O4/c1-42-32-15-9-6-10-26(32)22-38(25-34(41)43-2)23-28(20-27-21-35-31-14-8-7-13-30(27)31)36-33(40)24-37-16-18-39(19-17-37)29-11-4-3-5-12-29/h3-15,21,28,35H,16-20,22-25H2,1-2H3,(H,36,40)
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| InChIKey |
GMYFUYINKONEKD-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