General Information of the Compound
| Compound ID |
CP0507282
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| Compound Name |
US9388162, 16
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| Structure |
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| Formula |
C28H36N2O6
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| Molecular Weight |
496.604
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CC(=O)N5CCC[C@H]5C(O)=O)C[C@@]34O)c2c1
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| InChI |
InChI=1S/C28H36N2O6/c1-36-20-7-6-18-11-24-28(35)14-19(12-25(32)30-9-2-3-22(30)26(33)34)23(31)15-27(28,21(18)13-20)8-10-29(24)16-17-4-5-17/h6-7,13,17,19,22,24,35H,2-5,8-12,14-16H2,1H3,(H,33,34)/t19-,22-,24+,27+,28+/m0/s1
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| InChIKey |
YGROLQWQPPNSSD-BWRUTCSNSA-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