General Information of the Compound
| Compound ID |
CP0654294
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| Compound Name |
SID87677872
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| Structure |
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| Formula |
C14H21ClN4S
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| Molecular Weight |
312.87
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| Canonical SMILES |
C=CCn1c(C)cc(C2=NN=C(NCC)SC2)c1C.Cl
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| InChI |
InChI=1S/C14H20N4S.ClH/c1-5-7-18-10(3)8-12(11(18)4)13-9-19-14(15-6-2)17-16-13;/h5,8H,1,6-7,9H2,2-4H3,(H,15,17);1H
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| InChIKey |
NPROGCSZXVCDKG-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8