General Information of the Compound
| Compound ID |
CP0506815
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| Compound Name |
US8969358, 134
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| Structure |
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| Formula |
C32H36N2O6
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| Molecular Weight |
544.648
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| Canonical SMILES |
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C32H36N2O6/c1-39-32-11-10-30(15-20(32)16-33-27(36)21-4-2-3-5-22(21)28(37)38)24-14-19-8-9-23(35)26-25(19)31(30,29(32)40-26)12-13-34(24)17-18-6-7-18/h2-5,8-9,18,20,24,29,35H,6-7,10-17H2,1H3,(H,33,36)(H,37,38)/t20-,24-,29-,30-,31+,32?/m1/s1
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| InChIKey |
MKYDARKRDSXKSS-ZCSDQBEYSA-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