General Information of the Compound
| Compound ID |
CP0967552
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| Compound Name |
(6-((3S,4S)-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-5-yl)methanol
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| Structure |
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| Formula |
C21H24Cl2N6O2
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| Molecular Weight |
463.369
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5cccc(Cl)c5Cl)c4nc3CO)CC2)[C@@H]1N
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| InChI |
InChI=1S/C21H24Cl2N6O2/c1-11-18(24)21(10-31-11)5-7-29(8-6-21)20-14(9-30)25-17-16(27-28-19(17)26-20)12-3-2-4-13(22)15(12)23/h2-4,11,18,30H,5-10,24H2,1H3,(H,26,27,28)/t11-,18+/m0/s1
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| InChIKey |
WRHXPUBAPLIIDL-BBATYDOGSA-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