General Information of the Compound
| Compound ID |
CP0462907
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| Compound Name |
US9139585, 43B
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| Structure |
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| Formula |
C25H30N2O6S
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| Molecular Weight |
486.59
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3c(CCS3(=O)=O)c2)CC1
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| InChI |
InChI=1S/C25H30N2O6S/c1-16-19(3-4-20-21(16)15-33-25(20)30)23(29)14-27-9-7-26(8-10-27)13-22(28)17-2-5-24-18(12-17)6-11-34(24,31)32/h2-5,12,22-23,28-29H,6-11,13-15H2,1H3/t22-,23-/m0/s1
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| InChIKey |
YTYVVXWVZHRZKS-GOTSBHOMSA-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