General Information of the Compound
| Compound ID |
CP0410420
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| Compound Name |
2-(1-methylpyrazolo[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 |
C30H33N7O
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| Molecular Weight |
507.642
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| Canonical SMILES |
Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1nn(C)c2ncccc12
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| InChI |
InChI=1S/C30H33N7O/c1-20-14-25(33-19-32-20)22-5-7-23-21(15-22)6-8-27(23)37-17-30(18-37)9-12-36(13-10-30)28(38)16-26-24-4-3-11-31-29(24)35(2)34-26/h3-5,7,11,14-15,19,27H,6,8-10,12-13,16-18H2,1-2H3/t27-/m1/s1
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| InChIKey |
MGFASSGEYPHPRF-HHHXNRCGSA-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