General Information of the Compound
| Compound ID |
CP0679480
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| Compound Name |
SID87337233
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| Structure |
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)n1
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| InChI |
InChI=1S/C21H20N4O3S/c1-13-10-14(2)24-21(23-13)29-12-15-6-8-16(9-7-15)20(28)25-22-11-17-4-3-5-18(26)19(17)27/h3-11,26-27H,12H2,1-2H3,(H,25,28)/b22-11+
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| InChIKey |
UYGULAZSTIAFFN-SSDVNMTOSA-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