General Information of the Compound
| Compound ID |
CP0491525
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| Compound Name |
US8802711, 113
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@H]3CC[C@H](C3)c3ccccc3)cc2NC1=O
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| InChI |
InChI=1S/C22H26N4O3/c27-11-10-26-14-17-7-9-19(13-20(17)25-22(26)29)24-21(28)23-18-8-6-16(12-18)15-4-2-1-3-5-15/h1-5,7,9,13,16,18,27H,6,8,10-12,14H2,(H,25,29)(H2,23,24,28)/t16-,18+/m1/s1
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| InChIKey |
FXMUKCRGKDOSMF-AEFFLSMTSA-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