General Information of the Compound
| Compound ID |
CP0447608
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| Compound Name |
(6R)-5-cyclopentyl-6-ethyl-3-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-6H-imidazo[1,5-f]pteridine-7-carboxylic acid
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| Structure |
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| Formula |
C30H38N8O4
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| Molecular Weight |
574.686
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| Canonical SMILES |
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(O)=O)c12
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| InChI |
InChI=1S/C30H38N8O4/c1-4-22-26-25(29(40)41)32-17-37(26)23-16-31-30(35-27(23)38(22)20-7-5-6-8-20)34-21-10-9-18(15-24(21)42-3)28(39)33-19-11-13-36(2)14-12-19/h9-10,15-17,19-20,22H,4-8,11-14H2,1-3H3,(H,33,39)(H,40,41)(H,31,34,35)/t22-/m1/s1
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| InChIKey |
CBNBACZYZVMFBW-JOCHJYFZSA-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