General Information of the Compound
| Compound ID |
CP0912023
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| Compound Name |
SID93576846
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| Structure |
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| Formula |
C34H54O7
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| Molecular Weight |
574.799
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| Canonical SMILES |
CC(=O)O.CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C
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| InChI |
InChI=1S/C32H50O5.C2H4O2/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9;1-2(3)4/h18,22-24,26-27,34H,10-17H2,1-9H3;1H3,(H,3,4)/t18-,22+,23+,24?,26?,27-,30+,31+,32+;/m1./s1
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| InChIKey |
WMXVAVICMBHNJA-SMZLEHDLSA-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: PT06172, Mothers against decapentaplegic homolog 3