General Information of the Compound
| Compound ID |
CP0492738
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| Compound Name |
4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C28H35N9O2
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| Molecular Weight |
529.649
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| Canonical SMILES |
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12
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| InChI |
InChI=1S/C28H35N9O2/c1-6-22-25-21(14-29)31-16-36(25)23-15-30-28(34-26(23)37(22)17(2)3)33-20-8-7-18(13-24(20)39-5)27(38)32-19-9-11-35(4)12-10-19/h7-8,13,15-17,19,22H,6,9-12H2,1-5H3,(H,32,38)(H,30,33,34)/t22-/m1/s1
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| InChIKey |
GHMBRNIPQXNYFY-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