General Information of the Compound
| Compound ID |
CP0014845
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| Compound Name |
(3S)-1'-(cyclopropanecarbonyl)-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C26H24N8O2
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| Molecular Weight |
480.532
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| Canonical SMILES |
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1
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| InChI |
InChI=1S/C26H24N8O2/c1-14-27-11-17(12-28-14)22-32-21-20(29-13-30-23(21)33(22)2)16-6-7-19-18(10-16)26(25(36)31-19)8-3-9-34(26)24(35)15-4-5-15/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,31,36)/t26-/m0/s1
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| InChIKey |
YTVZJQCTBUIDMC-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