General Information of the Compound
| Compound ID |
CP0493190
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| Compound Name |
US9388162, 13
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| Structure |
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| Formula |
C26H34N2O6
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| Molecular Weight |
470.566
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CC(=O)N[C@@H](C)C(O)=O)C[C@@]34O)c2c1
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| InChI |
InChI=1S/C26H34N2O6/c1-15(24(31)32)27-23(30)10-18-12-26(33)22-9-17-5-6-19(34-2)11-20(17)25(26,13-21(18)29)7-8-28(22)14-16-3-4-16/h5-6,11,15-16,18,22,33H,3-4,7-10,12-14H2,1-2H3,(H,27,30)(H,31,32)/t15-,18-,22+,25+,26+/m0/s1
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| InChIKey |
VVHGLEXPTPLGAN-MELISLKJSA-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