General Information of the Compound
| Compound ID |
CP0961328
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| Compound Name |
US9428456, 1.190
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
CC(c1cccc(NC(=O)c2cnc3[nH]ccc3c2)c1)N1CCC(C(=O)NC2CCCCC2)CC1
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| InChI |
InChI=1S/C28H35N5O2/c1-19(33-14-11-20(12-15-33)27(34)31-24-7-3-2-4-8-24)21-6-5-9-25(17-21)32-28(35)23-16-22-10-13-29-26(22)30-18-23/h5-6,9-10,13,16-20,24H,2-4,7-8,11-12,14-15H2,1H3,(H,29,30)(H,31,34)(H,32,35)
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| InChIKey |
SXLXUDBUARGJTA-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