General Information of the Compound
| Compound ID |
CP0355482
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| Compound Name |
6-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one
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| Structure |
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| Formula |
C12H12N2O2
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| Molecular Weight |
216.24
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| Canonical SMILES |
COc1ccc2[nH]c3c(CCNC3=O)c2c1
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| InChI |
InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)
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| InChIKey |
PWARHDUWOJUADN-UHFFFAOYSA-N
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| CAS |
17952-87-3
4122-66-1
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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