General Information of the Compound
| Compound ID |
CP0567724
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| Compound Name |
US9315514, 5
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| Structure |
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| Formula |
C32H45NO4
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| Molecular Weight |
507.715
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| Canonical SMILES |
CCCC1O[C@@](C)([C@H]2C[C@]34CC[C@]2(O1)[C@@H]1Oc2c5c(C[C@H]3N(CC3CC3)CC[C@@]415)ccc2O)C(C)(C)C
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| InChI |
InChI=1S/C32H45NO4/c1-6-7-24-36-29(5,28(2,3)4)22-17-30-12-13-32(22,37-24)27-31(30)14-15-33(18-19-8-9-19)23(30)16-20-10-11-21(34)26(35-27)25(20)31/h10-11,19,22-24,27,34H,6-9,12-18H2,1-5H3/t22-,23-,24?,27-,29+,30-,31+,32-/m1/s1
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| InChIKey |
GTKPAHSGOSUVSI-UXPGLXGNSA-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