General Information of the Compound
| Compound ID |
CP0547633
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| Compound Name |
US8933079, 5.10
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(C(=O)Cn3ncc(OCc4ccccc4)cc3=O)c(C)c2)C[C@@H](N)O1
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| InChI |
InChI=1S/C26H30N4O4/c1-18-10-21(14-29-13-19(2)34-25(27)16-29)8-9-23(18)24(31)15-30-26(32)11-22(12-28-30)33-17-20-6-4-3-5-7-20/h3-12,19,25H,13-17,27H2,1-2H3/t19-,25-/m0/s1
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| InChIKey |
AMWRHENRCKUIKV-DFBJGRDBSA-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