General Information of the Compound
| Compound ID |
CP0157141
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| Compound Name |
6-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H22Cl2N6O2
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| Molecular Weight |
449.342
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| Canonical SMILES |
Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1
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| InChI |
InChI=1S/C20H22Cl2N6O2/c1-27-18(29)14-16(11-3-2-4-12(21)15(11)22)25-26-17(14)24-19(27)28-7-5-20(6-8-28)10-30-9-13(20)23/h2-4,13H,5-10,23H2,1H3,(H,25,26)/t13-/m1/s1
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| InChIKey |
KOFLHKSEIMZJFM-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