General Information of the Compound
| Compound ID |
CP0880974
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| Compound Name |
SID17508156
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| Structure |
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| Formula |
C19H20Cl2IN3
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| Molecular Weight |
488.2
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| Canonical SMILES |
CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2cc(Cl)c(Cl)cc21.[I-]
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| InChI |
InChI=1S/C19H19Cl2N3.HI/c1-3-23-17-12-15(20)16(21)13-18(17)24(4-2)19(23)10-11-22-14-8-6-5-7-9-14;/h5-13H,3-4H2,1-2H3;1H
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| InChIKey |
DKDNIHDGMSRFCF-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
Protein ID: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor