General Information of the Compound
| Compound ID |
CP0575901
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| Compound Name |
(6R)-5-cyclopentyl-6-ethyl-N-hydroxy-3-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-N-methyl-6H-imidazo[1,5-f]pteridine-7-carboxamide
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| Structure |
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| Formula |
C31H41N9O4
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| Molecular Weight |
603.728
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| Canonical SMILES |
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(=O)N(C)O)c12
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| InChI |
InChI=1S/C31H41N9O4/c1-5-23-27-26(30(42)38(3)43)33-18-39(27)24-17-32-31(36-28(24)40(23)21-8-6-7-9-21)35-22-11-10-19(16-25(22)44-4)29(41)34-20-12-14-37(2)15-13-20/h10-11,16-18,20-21,23,43H,5-9,12-15H2,1-4H3,(H,34,41)(H,32,35,36)/t23-/m1/s1
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| InChIKey |
RBFXWJWEHFNLDF-HSZRJFAPSA-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