General Information of the Compound
| Compound ID |
CP0900419
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| Compound Name |
SID89850929
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| Structure |
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| Formula |
C24H29NO6
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| Molecular Weight |
427.497
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| Canonical SMILES |
CC1CC(C)C(=O)C(C(CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1
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| InChI |
InChI=1S/C24H29NO6/c1-14-8-15(2)24(30)18(9-14)20(10-16-11-21(27)25-22(28)12-16)31-23(29)13-19(26)17-6-4-3-5-7-17/h3-7,14-16,18,20H,8-13H2,1-2H3,(H,25,27,28)
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| InChIKey |
BCMABKOQTPATAU-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: PT06101, Latent membrane protein 1
Protein ID: PT06172, Mothers against decapentaplegic homolog 3