General Information of the Compound
| Compound ID |
CP0639017
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| Compound Name |
(S)-1-(3-(8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9H-purin-6-ylamino)pyrrolidin-1-yl)propan-1-one
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| Formula |
C18H24N8O
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| Molecular Weight |
368.445
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| Canonical SMILES |
CCC(=O)N1CC[C@H](Nc2ncnc3[nH]c(-c4cnn(CC)c4C)nc23)C1
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| InChI |
InChI=1S/C18H24N8O/c1-4-14(27)25-7-6-12(9-25)22-17-15-18(20-10-19-17)24-16(23-15)13-8-21-26(5-2)11(13)3/h8,10,12H,4-7,9H2,1-3H3,(H2,19,20,22,23,24)/t12-/m0/s1
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| InChIKey |
PMZWEZMMEBJPOE-LBPRGKRZSA-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