General Information of the Compound
| Compound ID |
CP0518495
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| Compound Name |
US9315514, 4
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| Structure |
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| Formula |
C31H43NO4
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| Molecular Weight |
493.688
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| Canonical SMILES |
CCC1O[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/C31H43NO4/c1-6-23-35-28(5,27(2,3)4)21-16-29-11-12-31(21,36-23)26-30(29)13-14-32(17-18-7-8-18)22(29)15-19-9-10-20(33)25(34-26)24(19)30/h9-10,18,21-23,26,33H,6-8,11-17H2,1-5H3/t21-,22-,23?,26-,28+,29-,30+,31-/m1/s1
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| InChIKey |
ZBOHQLGDDZMWIW-IGPVSXOCSA-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