General Information of the Compound
| Compound ID |
CP0933738
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| Compound Name |
SID99368032
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| Structure |
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| Formula |
C30H30BrN2PS
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| Molecular Weight |
561.529
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCCCc1ccccc1.[Br-]
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| InChI |
InChI=1S/C30H30N2PS.BrH/c1-25-30(33(34,27-18-7-3-8-19-27)28-20-9-4-10-21-28)32-24-14-12-22-29(32)31(25)23-13-11-17-26-15-5-2-6-16-26;/h2-10,12,14-16,18-22,24H,11,13,17,23H2,1H3;1H/q+1;/p-1
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| InChIKey |
JVKYDIHMCNAXCP-UHFFFAOYSA-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