General Information of the Compound
| Compound ID |
CP0011636
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| Compound Name |
MLS001204087
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C21H22N2O2/c1-3-5-18(24)23-19(16-9-7-14(2)8-10-16)17-12-11-15-6-4-13-22-20(15)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
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| InChIKey |
YLHAGZFGLRYNET-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