General Information of the Compound
| Compound ID |
CP0014808
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| Compound Name |
(3S)-1'-(cyclopropanecarbonyl)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-1-methylspiro[indole-3,2'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C28H28N8O2
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| Molecular Weight |
508.586
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C28H28N8O2/c1-4-35-24(19-13-29-16(2)30-14-19)33-23-22(31-15-32-25(23)35)18-8-9-21-20(12-18)28(27(38)34(21)3)10-5-11-36(28)26(37)17-6-7-17/h8-9,12-15,17H,4-7,10-11H2,1-3H3/t28-/m0/s1
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| InChIKey |
ZRNOMAUJWZTHTM-NDEPHWFRSA-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