General Information of the Compound
| Compound ID |
CP0398301
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| Compound Name |
US9447038, 119
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| Structure |
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| Formula |
C28H32ClN3O6
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| Molecular Weight |
542.032
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| Canonical SMILES |
COc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCn1c(=O)ccn(C)c1=O
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| InChI |
InChI=1S/C28H32ClN3O6/c1-30-13-12-26(33)31(28(30)36)14-15-38-24-11-6-19(16-25(24)37-2)18-32(22-4-3-5-22)23(17-27(34)35)20-7-9-21(29)10-8-20/h6-13,16,22-23H,3-5,14-15,17-18H2,1-2H3,(H,34,35)
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| InChIKey |
SVEFRURJTNQNRL-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