General Information of the Compound
| Compound ID |
CP0435787
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| Compound Name |
1-oxo-2,3,4,9-tetrahydro-1H-beta-carboline-6-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1
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| InChI |
InChI=1S/C22H25N3O2/c26-20(25-22-9-12-5-13(10-22)7-14(6-12)11-22)15-1-2-18-17(8-15)16-3-4-23-21(27)19(16)24-18/h1-2,8,12-14,24H,3-7,9-11H2,(H,23,27)(H,25,26)
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| InChIKey |
GIOPQNPYHBOBJK-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