General Information of the Compound
| Compound ID |
CP0913384
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| Compound Name |
1-(3-{1H-Benzo[de]isoquinolin-2(3H)-yl}propanoyl)-N,N-dimethylindoline-(2RS)-2-carboxamide formate
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1Cc2cccc3cccc(c23)C1.O=CO
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| InChI |
InChI=1S/C26H27N3O2.CH2O2/c1-27(2)26(31)23-15-19-7-3-4-12-22(19)29(23)24(30)13-14-28-16-20-10-5-8-18-9-6-11-21(17-28)25(18)20;2-1-3/h3-12,23H,13-17H2,1-2H3;1H,(H,2,3)
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| InChIKey |
KQMIUUDDBMAVKE-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