General Information of the Compound
| Compound ID |
CP0378014
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| Compound Name |
3-[[3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propyl]-[(2-methoxyphenyl)methyl]amino]-3-oxopropanoic acid
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| Structure |
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| Formula |
C34H39N5O5
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| Molecular Weight |
597.716
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)CC(O)=O
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| InChI |
InChI=1S/C34H39N5O5/c1-44-31-14-8-5-9-25(31)22-39(33(41)20-34(42)43)23-27(19-26-21-35-30-13-7-6-12-29(26)30)36-32(40)24-37-15-17-38(18-16-37)28-10-3-2-4-11-28/h2-14,21,27,35H,15-20,22-24H2,1H3,(H,36,40)(H,42,43)
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| InChIKey |
YVYUYBYHPPCPGT-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