General Information of the Compound
| Compound ID |
CP0007524
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| Compound Name |
MLS001204077
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| Structure |
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| Formula |
C21H21ClN2O2
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| Molecular Weight |
368.864
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| Canonical SMILES |
CCCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C21H21ClN2O2/c1-2-3-6-18(25)24-19(15-7-10-16(22)11-8-15)17-12-9-14-5-4-13-23-20(14)21(17)26/h4-5,7-13,19,26H,2-3,6H2,1H3,(H,24,25)
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| InChIKey |
UAXCAMFEQNFDHG-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: PT06101, Latent membrane protein 1