General Information of the Compound
| Compound ID |
CP0178493
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| Compound Name |
2,7,7-trimethyl-9-(1-oxo-2,3-dihydroisoindol-5-yl)-3,4,6,8-tetrahydro-1H-pyrido[3,4-b]indol-5-one
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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 |
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C22H25N3O2/c1-22(2)9-17-20(19(26)10-22)16-6-7-24(3)12-18(16)25(17)14-4-5-15-13(8-14)11-23-21(15)27/h4-5,8H,6-7,9-12H2,1-3H3,(H,23,27)
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| InChIKey |
IWANPRJGCILZPU-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