General Information of the Compound
| Compound ID |
CP0964723
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| Compound Name |
1-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-4-methylpent-1-yn-3-ol
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| Structure |
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CC(C)C(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3
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| InChI |
InChI=1S/C21H22N4O/c1-12(2)18(26)9-7-13-6-8-16-15(10-13)19-17(24-16)5-3-4-14-11-23-21(22)25-20(14)19/h6,8,10-12,18,24,26H,3-5H2,1-2H3,(H2,22,23,25)
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| InChIKey |
LJFILSXIUASBKQ-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