General Information of the Compound
| Compound ID |
CP0066138
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| Compound Name |
US9163013, 9
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| Structure |
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| Formula |
C21H25N5O5
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| Molecular Weight |
427.461
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| Canonical SMILES |
COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1
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| InChI |
InChI=1S/C21H25N5O5/c1-29-14-3-4-16-15(9-14)19(25-24-16)20(27)22-10-13-5-7-26(8-6-13)11-18-23-17(12-31-18)21(28)30-2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,22,27)(H,24,25)
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| InChIKey |
VKJSYJBYBSYYPO-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