General Information of the Compound
| Compound ID |
CP0467442
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| Compound Name |
MLS002703109
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| Structure |
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| Formula |
C29H26N2PS+
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| Molecular Weight |
465.582
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| Canonical SMILES |
Cc1c([n+]2ccccc2n1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H26N2PS.BrH/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25;/h2-22H,23H2,1H3;1H/q+1;/p-1/b16-13+;
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| InChIKey |
CJAQCMBWGUOBIX-ZUQRMPMESA-M
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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