General Information of the Compound
| Compound ID |
CP0666183
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| Compound Name |
SID85304848
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| Structure |
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| Formula |
C18H17BrN4S
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| Molecular Weight |
401.333
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| Canonical SMILES |
CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H17BrN4S/c1-2-5-16-17(13-7-9-14(19)10-8-13)22-18(24-16)23-21-12-15-6-3-4-11-20-15/h3-4,6-12H,2,5H2,1H3,(H,22,23)/b21-12+
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| InChIKey |
AWUBMIIAJHGFQS-CIAFOILYSA-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