General Information of the Compound
| Compound ID |
CP0450010
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| Compound Name |
US9206198, 52
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| Structure |
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| Formula |
C24H26N2O6
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| Molecular Weight |
438.48
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| Canonical SMILES |
O=C1OCC(=C1)N1CCC2(CCN(CC3OCCc4c5COC(=O)c5ccc34)CC2)C1=O
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| InChI |
InChI=1S/C24H26N2O6/c27-21-11-15(13-31-21)26-9-6-24(23(26)29)4-7-25(8-5-24)12-20-17-1-2-18-19(14-32-22(18)28)16(17)3-10-30-20/h1-2,11,20H,3-10,12-14H2
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| InChIKey |
BMHWVOJOECXJOS-UHFFFAOYSA-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