General Information of the Compound
| Compound ID |
CP0852256
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| Compound Name |
SID24795229
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| Structure |
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| Formula |
C18H29BrClNO2
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| Molecular Weight |
406.792
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| Canonical SMILES |
CCOc1c(Br)cc(CNC2CCCCCCC2)cc1OC.Cl
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| InChI |
InChI=1S/C18H28BrNO2.ClH/c1-3-22-18-16(19)11-14(12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15;/h11-12,15,20H,3-10,13H2,1-2H3;1H
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| InChIKey |
AHWPTLPHEKQMGD-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: PT06033, Microphthalmia-associated transcription factor