General Information of the Compound
| Compound ID |
CP0888741
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| Compound Name |
SID22404458
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| Structure |
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| Formula |
C20H26BrN3O
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| Molecular Weight |
404.352
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| Canonical SMILES |
Br.CCCCn1c(=N)n(CCOc2ccc(C)cc2)c2ccccc21
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| InChI |
InChI=1S/C20H25N3O.BrH/c1-3-4-13-22-18-7-5-6-8-19(18)23(20(22)21)14-15-24-17-11-9-16(2)10-12-17;/h5-12,21H,3-4,13-15H2,1-2H3;1H
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| InChIKey |
HSAXLRLRYHBZLI-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: PT06033, Microphthalmia-associated transcription factor