General Information of the Compound
| Compound ID |
CP0157233
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| Compound Name |
1-(benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1
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| InChI |
InChI=1S/C20H20N2O3/c1-23-13-3-4-16-15(10-13)14-6-7-21-17(20(14)22-16)8-12-2-5-18-19(9-12)25-11-24-18/h2-5,9-10,17,21-22H,6-8,11H2,1H3
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| InChIKey |
GSJJDYOIKNLJCL-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