General Information of the Compound
| Compound ID |
CP0381011
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| Compound Name |
N-[1-(1H-indol-3-yl)-3-[(2-methoxyphenyl)methylamino]propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C31H37N5O2
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| Molecular Weight |
511.67
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| Canonical SMILES |
COc1ccccc1CNCC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H37N5O2/c1-38-30-14-8-5-9-24(30)20-32-22-26(19-25-21-33-29-13-7-6-12-28(25)29)34-31(37)23-35-15-17-36(18-16-35)27-10-3-2-4-11-27/h2-14,21,26,32-33H,15-20,22-23H2,1H3,(H,34,37)
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| InChIKey |
GVVBQMBHLKJFRI-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