General Information of the Compound
| Compound ID |
CP0288090
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| Compound Name |
3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol
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| Structure |
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| Formula |
C17H16N2O
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| Molecular Weight |
264.328
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| Canonical SMILES |
Oc1cccc(c1)C1NCCc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C17H16N2O/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-20H,8-9H2
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| InChIKey |
PBHDVNKOSVXBHD-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