General Information of the Compound
| Compound ID |
CP0433486
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| Compound Name |
2-[6-chloro-9-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]carbazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C30H36ClNO2
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| Molecular Weight |
478.076
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| Canonical SMILES |
CC(C(O)=O)c1ccc2c(c1)n(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1ccc(Cl)cc21
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| InChI |
InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
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| InChIKey |
KZJJOGVNMJKCMR-RQALOGEDSA-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