General Information of the Compound
| Compound ID |
CP0851436
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| Compound Name |
SID92763407
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| Structure |
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| Formula |
C23H33NO6
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| Molecular Weight |
419.518
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| Canonical SMILES |
CC12CCC3C(CCC4(O)CC(O)CCC34C=NO)C1(O)CCC2C1=COC(=O)C1
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| InChI |
InChI=1S/C23H33NO6/c1-20-6-3-17-18(23(20,28)9-5-16(20)14-10-19(26)30-12-14)4-8-22(27)11-15(25)2-7-21(17,22)13-24-29/h12-13,15-18,25,27-29H,2-11H2,1H3
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| InChIKey |
SLLODQQGCJRULY-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8