General Information of the Compound
| Compound ID |
CP0510111
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| Compound Name |
propan-2-yl 3-[4-[2-(dimethylamino)ethoxy]benzoyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
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| Structure |
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| Formula |
C29H35N3O4
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| Molecular Weight |
489.616
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C29H35N3O4/c1-19(2)36-28(34)23-17-32(27(33)20-11-13-21(14-12-20)35-16-15-31(5)6)18-29(3,4)25-22-9-7-8-10-24(22)30-26(23)25/h7-14,17,19,30H,15-16,18H2,1-6H3
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| InChIKey |
BBBPFAWGCISJTD-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