General Information of the Compound
| Compound ID |
CP0480262
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| Compound Name |
(3R)-4-[1-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenyl]azetidin-3-yl]-1,3-dimethylpiperazin-2-one
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| Structure |
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| Formula |
C26H34N8O2
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| Molecular Weight |
490.612
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| Canonical SMILES |
COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(C1)N1CCN(C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C26H34N8O2/c1-18-25(35)30(2)14-15-33(18)22-16-32(17-22)21-6-4-19(5-7-21)20-10-12-31(13-11-20)24-9-8-23-27-28-26(36-3)34(23)29-24/h4-9,18,20,22H,10-17H2,1-3H3/t18-/m1/s1
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| InChIKey |
CASIXLZFPSAZDF-GOSISDBHSA-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