General Information of the Compound
| Compound ID |
CP0867706
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| Compound Name |
3-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-N-cyclopropylpyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H21ClF4N6O3
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| Molecular Weight |
528.894
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| Canonical SMILES |
Fc1cc(Cl)ccc1OC1CCN(c2nc3cnncc3nc2NC2CC2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H20ClFN6O.C2HF3O2/c21-12-1-4-18(15(22)9-12)29-14-5-7-28(8-6-14)20-19(25-13-2-3-13)26-16-10-23-24-11-17(16)27-20;3-2(4,5)1(6)7/h1,4,9-11,13-14H,2-3,5-8H2,(H,25,26);(H,6,7)
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| InChIKey |
DRBOPWLAOXWXTA-UHFFFAOYSA-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