General Information of the Compound
| Compound ID |
CP0567854
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| Compound Name |
[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(propylamino)pyridin-4-yl]-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
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| Structure |
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| Formula |
C23H31ClN8O2
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| Molecular Weight |
487.008
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| Canonical SMILES |
CCCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl
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| InChI |
InChI=1S/C23H31ClN8O2/c1-3-7-26-20-16(24)14(4-8-27-20)17-18-21(31-30-17)29-22(15(11-33)28-18)32-9-5-23(6-10-32)12-34-13(2)19(23)25/h4,8,13,19,33H,3,5-7,9-12,25H2,1-2H3,(H,26,27)(H,29,30,31)/t13-,19+/m0/s1
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| InChIKey |
QGJXABHATSMIPN-ORAYPTAESA-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