General Information of the Compound
| Compound ID |
CP0417880
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| Compound Name |
propan-2-yl 1,1-dimethyl-3-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
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| Structure |
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCCC2)c1
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| InChI |
InChI=1S/C30H35N3O3/c1-20(2)36-29(35)24-18-33(19-30(3,4)26-23-12-5-6-13-25(23)31-27(24)26)28(34)22-11-9-10-21(16-22)17-32-14-7-8-15-32/h5-6,9-13,16,18,20,31H,7-8,14-15,17,19H2,1-4H3
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| InChIKey |
MPRWCNMYLYRYRB-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