General Information of the Compound
| Compound ID |
CP0856922
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| Compound Name |
SID92763930
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| Structure |
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| Formula |
C48H74O20
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| Molecular Weight |
971.1
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| Canonical SMILES |
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(O)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C48H74O20/c1-21-42(66-37-17-32(52)43(22(2)61-37)67-38-18-33(63-24(4)50)44(23(3)62-38)68-45-41(56)40(55)39(54)34(19-49)65-45)31(51)16-36(60-21)64-27-8-11-46(5)26(15-27)6-7-30-29(46)10-13-47(57)28(9-12-48(30,47)58)25-14-35(53)59-20-25/h14,21-23,26-34,36-45,49,51-52,54-58H,6-13,15-20H2,1-5H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,34-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45+,46+,47+,48+/m1/s1
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| InChIKey |
FHZDKHDHHFVVNB-VAUUHOLUSA-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