General Information of the Compound
| Compound ID |
CP0409687
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| Compound Name |
methyl 3-[[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-[(2-methoxyphenyl)methyl]amino]-3-oxopropanoate
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| Structure |
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| Formula |
C35H41N5O5
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| Molecular Weight |
611.743
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| Canonical SMILES |
COC(=O)CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC
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| InChI |
InChI=1S/C35H41N5O5/c1-44-32-15-9-6-10-26(32)23-40(34(42)21-35(43)45-2)24-28(20-27-22-36-31-14-8-7-13-30(27)31)37-33(41)25-38-16-18-39(19-17-38)29-11-4-3-5-12-29/h3-15,22,28,36H,16-21,23-25H2,1-2H3,(H,37,41)
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| InChIKey |
LPHUHRBYJJRLLM-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