General Information of the Compound
| Compound ID |
CP0443688
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| Compound Name |
US8993586, 35
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| Structure |
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| Formula |
C21H27N7O2
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| Molecular Weight |
409.494
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4N=C(N)NC4C=C3)NC(=O)c12
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| InChI |
InChI=1S/C21H27N7O2/c1-12(2)28-17-14(11-23-28)10-21(26-18(17)29)5-7-27(8-6-21)19(30)13-3-4-15-16(9-13)25-20(22)24-15/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3,(H,26,29)(H3,22,24,25)
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| InChIKey |
IHTNHLGRQKBKPP-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