General Information of the Compound
| Compound ID |
CP0884554
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| Compound Name |
SID49647303
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| Structure |
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| Formula |
C23H31NO5
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| Molecular Weight |
401.503
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| Canonical SMILES |
C[C@]12CCC3C(CCC4=CC(O)CC[C@@]43/C=N/O)C1(O)CCC2C1=CC(=O)OC1
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| InChI |
InChI=1S/C23H31NO5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24-28)23(21,27)9-6-17(21)14-10-20(26)29-12-14/h10-11,13,16-19,25,27-28H,2-9,12H2,1H3/b24-13+/t16?,17?,18?,19?,21-,22-,23?/m1/s1
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| InChIKey |
HSAWPLMZZCZALC-ZHNXZRGVSA-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: PT06124, Paired box protein Pax-8