General Information of the Compound
| Compound ID |
CP0512640
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| Compound Name |
US9221831, 91
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| Structure |
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| Formula |
C33H41N3O5
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| Molecular Weight |
559.707
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| Canonical SMILES |
CNC(=O)Nc1cccc(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/C33H41N3O5/c1-34-30(38)35-24-5-3-4-21(14-24)18-40-19-23-16-31-10-11-33(23,39-2)29-32(31)12-13-36(17-20-6-7-20)26(31)15-22-8-9-25(37)28(41-29)27(22)32/h3-5,8-9,14,20,23,26,29,37H,6-7,10-13,15-19H2,1-2H3,(H2,34,35,38)/t23-,26-,29-,31-,32+,33-/m1/s1
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| InChIKey |
WHGLOZUCULSRJW-ASCUWTISSA-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