General Information of the Compound
| Compound ID |
CP0539532
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| Compound Name |
US9428456, 1.185
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| Structure |
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| Formula |
C26H35N5O2
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| Molecular Weight |
449.599
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cnc(C)cn2)c1
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| InChI |
InChI=1S/C26H35N5O2/c1-18-16-28-24(17-27-18)26(33)30-23-10-6-7-21(15-23)19(2)31-13-11-20(12-14-31)25(32)29-22-8-4-3-5-9-22/h6-7,10,15-17,19-20,22H,3-5,8-9,11-14H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
AFPRTCLJDCXSLL-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