General Information of the Compound
| Compound ID |
CP0435087
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| Compound Name |
US9139585, 30
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| Structure |
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| Formula |
C26H30N2O5
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| Molecular Weight |
450.535
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
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| InChI |
InChI=1S/C26H30N2O5/c1-17-20(4-5-22-23(17)16-33-26(22)31)24(29)15-28-11-9-27(10-12-28)8-6-18-2-3-21-19(14-18)7-13-32-25(21)30/h2-5,14,24,29H,6-13,15-16H2,1H3/t24-/m0/s1
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| InChIKey |
PSUTUEBPBMNZJM-DEOSSOPVSA-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