General Information of the Compound
| Compound ID |
CP0561587
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| Compound Name |
US9315514, 6
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| Structure |
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| Formula |
C35H43NO4
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| Molecular Weight |
541.732
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| Canonical SMILES |
CC(C)(C)[C@@]1(C)OC(O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25)c1ccccc1
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| InChI |
InChI=1S/C35H43NO4/c1-31(2,3)32(4)25-19-33-14-15-35(25,40-29(39-32)22-8-6-5-7-9-22)30-34(33)16-17-36(20-21-10-11-21)26(33)18-23-12-13-24(37)28(38-30)27(23)34/h5-9,12-13,21,25-26,29-30,37H,10-11,14-20H2,1-4H3/t25-,26-,29?,30-,32+,33-,34+,35-/m1/s1
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| InChIKey |
HGBJMGMRNYTIHF-CODBXGTISA-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