General Information of the Compound
| Compound ID |
CP0014329
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| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-1'-propan-2-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C26H28N8O
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| Molecular Weight |
468.565
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@]3(CCCN3C(C)C)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C26H28N8O/c1-5-33-23(18-12-27-16(4)28-13-18)32-22-21(29-14-30-24(22)33)17-7-8-20-19(11-17)26(25(35)31-20)9-6-10-34(26)15(2)3/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,31,35)/t26-/m0/s1
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| InChIKey |
ZTFPHVNLMKRBQU-SANMLTNESA-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