General Information of the Compound
| Compound ID |
CP0457479
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| Compound Name |
4-methyl-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C20H27N5O2
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| Molecular Weight |
369.469
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| Canonical SMILES |
CN1CCCN(CC1)C(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12
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| InChI |
InChI=1S/C20H27N5O2/c1-24-9-2-10-25(12-11-24)20(27)22-7-5-14-13-23-17-4-3-16-15(18(14)17)6-8-21-19(16)26/h3-4,13,23H,2,5-12H2,1H3,(H,21,26)(H,22,27)
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| InChIKey |
LWQWQCIGTFQIEH-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