General Information of the Compound
| Compound ID |
CP0908896
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| Compound Name |
SID131454051
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| Structure |
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| Formula |
C31H34N2O6
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| Molecular Weight |
530.621
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26+,27-,30+/m1/s1
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| InChIKey |
OJBHRHOQEWVARJ-BXAWWBQVSA-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