General Information of the Compound
| Compound ID |
CP0546004
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| Compound Name |
US9221831, 73
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| Structure |
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| Formula |
C34H41NO7
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| Molecular Weight |
575.702
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| Canonical SMILES |
COC(=O)COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5O)c1
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| InChI |
InChI=1S/C34H41NO7/c1-38-28(37)20-41-25-5-3-4-22(14-25)18-40-19-24-16-32-10-11-34(24,39-2)31-33(32)12-13-35(17-21-6-7-21)27(32)15-23-8-9-26(36)30(42-31)29(23)33/h3-5,8-9,14,21,24,27,31,36H,6-7,10-13,15-20H2,1-2H3/t24-,27-,31-,32-,33+,34-/m1/s1
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| InChIKey |
ZOCQAINJWNKMEB-FBPOBTEMSA-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