General Information of the Compound
| Compound ID |
CP0059058
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| Compound Name |
2-(2,2-difluoroethylamino)-4-(2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)benzamide
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| Structure |
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| Formula |
C23H28F2N4O2
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| Molecular Weight |
430.499
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| Canonical SMILES |
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(F)F)c1
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| InChI |
InChI=1S/C23H28F2N4O2/c1-23(2)9-17-21(19(30)10-23)15-6-7-28(3)12-18(15)29(17)13-4-5-14(22(26)31)16(8-13)27-11-20(24)25/h4-5,8,20,27H,6-7,9-12H2,1-3H3,(H2,26,31)
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| InChIKey |
HEUKUPZJWOFYNZ-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