General Information of the Compound
| Compound ID |
CP0850047
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| Compound Name |
SID24787304
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| Structure |
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| Formula |
C20H25BrN4OS
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| Molecular Weight |
449.418
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| Canonical SMILES |
Br.N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)c1cccs1
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| InChI |
InChI=1S/C20H24N4OS.BrH/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19;/h2-3,6-9,14,21H,1,4-5,10-13,15H2;1H
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| InChIKey |
UMPIDSZBAQZZPD-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: PT06172, Mothers against decapentaplegic homolog 3