General Information of the Compound
| Compound ID |
CP0400329
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| Compound Name |
2-[3-(1,3-dihydroisoindol-2-yl)propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C22H25N3
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| Molecular Weight |
331.463
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| Canonical SMILES |
C(CN1Cc2ccccc2C1)CN1CCc2c(C1)[nH]c1ccccc21
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| InChI |
InChI=1S/C22H25N3/c1-2-7-18-15-25(14-17(18)6-1)12-5-11-24-13-10-20-19-8-3-4-9-21(19)23-22(20)16-24/h1-4,6-9,23H,5,10-16H2
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| InChIKey |
LALXXHGAQDGIOH-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