General Information of the Compound
| Compound ID |
CP0572245
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| Compound Name |
US9428456, 1.195
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| Structure |
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| Formula |
C25H33N5O2
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| Molecular Weight |
435.572
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ncccn2)c1
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| InChI |
InChI=1S/C25H33N5O2/c1-18(20-7-5-10-22(17-20)29-25(32)23-26-13-6-14-27-23)30-15-11-19(12-16-30)24(31)28-21-8-3-2-4-9-21/h5-7,10,13-14,17-19,21H,2-4,8-9,11-12,15-16H2,1H3,(H,28,31)(H,29,32)
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| InChIKey |
KGHYHGXSXVEMDN-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