General Information of the Compound
| Compound ID |
CP0897221
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| Compound Name |
SID92763835
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| Structure |
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| Formula |
C22H30O5
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| Molecular Weight |
374.477
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| Canonical SMILES |
C=C1C(=O)C2=CC1CCC(=O)C1(C)CCC(OC(C)=O)C(C)(C)C1CC2O
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| InChI |
InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)9-8-19(27-13(2)23)21(3,4)17(22)11-16(24)15(10-14)20(12)26/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3
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| InChIKey |
SZAHIEIJJDKFRX-UHFFFAOYSA-N
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| CAS |
73211-11-7
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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: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8