General Information of the Compound
| Compound ID |
CP0542185
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| Compound Name |
2-(1-ethylpyrazolo[3,4-b]pyridin-3-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C31H35N7O
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| Molecular Weight |
521.669
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| Canonical SMILES |
CCn1nc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c2cccnc12
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| InChI |
InChI=1S/C31H35N7O/c1-3-38-30-25(5-4-12-32-30)27(35-38)17-29(39)36-13-10-31(11-14-36)18-37(19-31)28-9-7-22-16-23(6-8-24(22)28)26-15-21(2)33-20-34-26/h4-6,8,12,15-16,20,28H,3,7,9-11,13-14,17-19H2,1-2H3/t28-/m1/s1
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| InChIKey |
DWSZMRNLAZPKCF-MUUNZHRXSA-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