General Information of the Compound
| Compound ID |
CP0392245
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| Compound Name |
1-(3-Aminomethyl-benzyl)-6,6-dibenzyl-1,4,5,6-tetrahydro-indol-7-one
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| Structure |
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| Formula |
C30H30N2O
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| Molecular Weight |
434.583
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| Canonical SMILES |
NCc1cccc(Cn2ccc3CCC(Cc4ccccc4)(Cc4ccccc4)C(=O)c23)c1
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| InChI |
InChI=1S/C30H30N2O/c31-21-25-12-7-13-26(18-25)22-32-17-15-27-14-16-30(29(33)28(27)32,19-23-8-3-1-4-9-23)20-24-10-5-2-6-11-24/h1-13,15,17-18H,14,16,19-22,31H2
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| InChIKey |
ZLZGYOUXDLTZOE-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