General Information of the Compound
| Compound ID |
CP0879205
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| Compound Name |
SID14729638
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| Structure |
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| Formula |
C13H18BrClN4O
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| Molecular Weight |
361.671
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| Canonical SMILES |
CCOc1ccc(Br)cc1/C(C)=N\NC1=NCCN1.Cl
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| InChI |
InChI=1S/C13H17BrN4O.ClH/c1-3-19-12-5-4-10(14)8-11(12)9(2)17-18-13-15-6-7-16-13;/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18);1H/b17-9-;
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| InChIKey |
ZMQNPRHQWBXOGE-WPTDRQDKSA-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