General Information of the Compound
| Compound ID |
CP0804943
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| Compound Name |
rac-N-(2-(cyclopropylamino)-2-oxoethyl)-N,9-dimethyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
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| InChI |
InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)
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| InChIKey |
LBJXQEHAPRESNJ-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