General Information of the Compound
| Compound ID |
CP0701025
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| Compound Name |
SID24801420
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| Structure |
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| Formula |
C24H30BrN3OS
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| Molecular Weight |
488.495
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| Canonical SMILES |
C[n+]1c2n(c3ccccc31)N=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CS2.[Br-]
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| InChI |
InChI=1S/C24H29N3OS.BrH/c1-23(2,3)16-12-15(13-17(21(16)28)24(4,5)6)18-14-29-22-26(7)19-10-8-9-11-20(19)27(22)25-18;/h8-13H,14H2,1-7H3;1H
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| InChIKey |
CQAITKVHYQUAKI-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8