General Information of the Compound
| Compound ID |
CP0419441
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| Compound Name |
US9216972, 12
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
CCCc1ccc(cc1)-c1onc-2c1CCc1cc(OC[C@H](O)CO)ccc-21
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| InChI |
InChI=1S/C23H25NO4/c1-2-3-15-4-6-16(7-5-15)23-21-10-8-17-12-19(27-14-18(26)13-25)9-11-20(17)22(21)24-28-23/h4-7,9,11-12,18,25-26H,2-3,8,10,13-14H2,1H3/t18-/m1/s1
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| InChIKey |
UQBONDWUAKRGAZ-GOSISDBHSA-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