General Information of the Compound
| Compound ID |
CP0571973
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| Compound Name |
(3S,4S)-8-[3-[3-chloro-2-(ethylamino)pyridin-4-yl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
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| Structure |
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| Formula |
C21H27ClN8O
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| Molecular Weight |
442.955
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| Canonical SMILES |
CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl
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| InChI |
InChI=1S/C21H27ClN8O/c1-3-24-19-15(22)13(4-7-25-19)16-17-20(29-28-16)27-14(10-26-17)30-8-5-21(6-9-30)11-31-12(2)18(21)23/h4,7,10,12,18H,3,5-6,8-9,11,23H2,1-2H3,(H,24,25)(H,27,28,29)/t12-,18+/m0/s1
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| InChIKey |
ZNUSABOZHDKQTJ-KPZWWZAWSA-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