General Information of the Compound
| Compound ID |
CP0495519
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| Compound Name |
US9388162, 15
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| Structure |
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| Formula |
C25H32N2O6
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| Molecular Weight |
456.539
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| Canonical SMILES |
C[C@H](NC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C(O)=O
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| InChI |
InChI=1S/C25H32N2O6/c1-14(23(31)32)26-22(30)9-17-11-25(33)21-8-16-4-5-18(28)10-19(16)24(25,12-20(17)29)6-7-27(21)13-15-2-3-15/h4-5,10,14-15,17,21,28,33H,2-3,6-9,11-13H2,1H3,(H,26,30)(H,31,32)/t14-,17-,21+,24+,25+/m0/s1
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| InChIKey |
XJIVENQJWIEECJ-YSHMZDJXSA-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