General Information of the Compound
| Compound ID |
CP0008418
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| Compound Name |
(3S)-1'-(cyclopropanecarbonyl)-1-methyl-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C27H26N8O2
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| Molecular Weight |
494.559
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| Canonical SMILES |
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C27H26N8O2/c1-15-28-12-18(13-29-15)23-32-22-21(30-14-31-24(22)34(23)3)17-7-8-20-19(11-17)27(26(37)33(20)2)9-4-10-35(27)25(36)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3/t27-/m0/s1
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| InChIKey |
MHEWWXGARXQJFP-MHZLTWQESA-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