General Information of the Compound
| Compound ID |
CP0549857
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| Compound Name |
US9193726, 48
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(cc3)C3CC3)CCn2c1=O
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| InChI |
InChI=1S/C26H28N4O3/c1-17-14-29(16-27-17)22-9-10-23-25(31)28(12-13-30(23)26(22)32)15-21-8-11-24(33-21)20-6-4-19(5-7-20)18-2-3-18/h4-7,9-10,14,16,18,21,24H,2-3,8,11-13,15H2,1H3/t21-,24+/m0/s1
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| InChIKey |
WEUGMNOWYCIZHY-XUZZJYLKSA-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