General Information of the Compound
| Compound ID |
CP0449324
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| Compound Name |
1-oxo-2,3,4,9-tetrahydro-1H-beta-carboline-6-carboxylic acid (adamantan-1-ylmethyl)-amide
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1
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| InChI |
InChI=1S/C23H27N3O2/c27-21(25-12-23-9-13-5-14(10-23)7-15(6-13)11-23)16-1-2-19-18(8-16)17-3-4-24-22(28)20(17)26-19/h1-2,8,13-15,26H,3-7,9-12H2,(H,24,28)(H,25,27)
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| InChIKey |
WZTSIAYZVDVAIZ-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