General Information of the Compound
| Compound ID |
CP0508937
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| Compound Name |
US9139585, 32
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| Structure |
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| Formula |
C27H32N2O5
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| Molecular Weight |
464.562
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| Canonical SMILES |
CCc1c2COC(=O)c2ccc1C(O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
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| InChI |
InChI=1S/C27H32N2O5/c1-2-20-22(5-6-23-24(20)17-34-27(23)32)25(30)16-29-12-10-28(11-13-29)9-7-18-3-4-21-19(15-18)8-14-33-26(21)31/h3-6,15,25,30H,2,7-14,16-17H2,1H3
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| InChIKey |
MVULABYFIZDRDL-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