General Information of the Compound
| Compound ID |
CP0077038
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| Compound Name |
11-butyl-1,3,3-trimethyl-4,11-dihydro-3H-pyrido[3,2-a]carbazole
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| Structure |
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| Formula |
C22H26N2
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| Molecular Weight |
318.464
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| Canonical SMILES |
CCCCn1c2ccccc2c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C22H26N2/c1-5-6-13-24-19-10-8-7-9-16(19)17-11-12-18-20(21(17)24)15(2)14-22(3,4)23-18/h7-12,14,23H,5-6,13H2,1-4H3
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| InChIKey |
GIYVQJUFCNEEDW-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