General Information of the Compound
| Compound ID |
CP0952246
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| Compound Name |
(4S)-8-(3-(2,3-Dichlorophenyl)-1H-pyrazolo[3,4-b]-pyrazin-6-yl-2-oxa-8-azaspiro[4.5]-decan-4-amine
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| Structure |
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| Formula |
C19H20Cl2N6O
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| Molecular Weight |
419.316
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| Canonical SMILES |
N[C@@H]1COCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)n[nH]c3n1)CC2
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| InChI |
InChI=1S/C19H20Cl2N6O/c20-12-3-1-2-11(15(12)21)16-17-18(26-25-16)24-14(8-23-17)27-6-4-19(5-7-27)10-28-9-13(19)22/h1-3,8,13H,4-7,9-10,22H2,(H,24,25,26)/t13-/m1/s1
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| InChIKey |
SIKKESBUGBWVRF-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