General Information of the Compound
| Compound ID |
CP0511171
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| Compound Name |
1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
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| Structure |
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| Formula |
C29H31N7O
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| Molecular Weight |
493.615
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| Canonical SMILES |
Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1n[nH]c2ncccc12
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| InChI |
InChI=1S/C29H31N7O/c1-19-13-24(32-18-31-19)21-4-6-22-20(14-21)5-7-26(22)36-16-29(17-36)8-11-35(12-9-29)27(37)15-25-23-3-2-10-30-28(23)34-33-25/h2-4,6,10,13-14,18,26H,5,7-9,11-12,15-17H2,1H3,(H,30,33,34)/t26-/m1/s1
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| InChIKey |
OFGXNYXGAJEACZ-AREMUKBSSA-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