General Information of the Compound
| Compound ID |
CP0016735
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| Compound Name |
6-N-(3-amino-5-chlorophenyl)-9-propan-2-yl-2-N-[(3R)-pyrrolidin-3-yl]purine-2,6-diamine
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| Structure |
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| Formula |
C18H23ClN8
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| Molecular Weight |
386.891
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| Canonical SMILES |
CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCNC3)nc12
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| InChI |
InChI=1S/C18H23ClN8/c1-10(2)27-9-22-15-16(23-14-6-11(19)5-12(20)7-14)25-18(26-17(15)27)24-13-3-4-21-8-13/h5-7,9-10,13,21H,3-4,8,20H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
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| InChIKey |
GPXCDUCDIFDAGL-CYBMUJFWSA-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