General Information of the Compound
| Compound ID |
CP0407078
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| Compound Name |
2-[6-chloro-9-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]carbazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C35H50ClNO2
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| Molecular Weight |
552.243
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| Canonical SMILES |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
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| InChI |
InChI=1S/C35H50ClNO2/c1-24(2)10-7-11-25(3)12-8-13-26(4)14-9-15-27(5)20-21-37-33-19-17-30(36)23-32(33)31-18-16-29(22-34(31)37)28(6)35(38)39/h16-20,22-26,28H,7-15,21H2,1-6H3,(H,38,39)/b27-20+/t25-,26-,28?/m1/s1
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| InChIKey |
VXRDMDBFZQPZFB-HCKKOKALSA-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