General Information of the Compound
| Compound ID |
CP0959234
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| Compound Name |
(R)-N-sec-butyl-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)pyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H28F4N6O4
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| Molecular Weight |
540.518
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| Canonical SMILES |
CC[C@@H](C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(OC)cc2F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H27FN6O2.C2HF3O2/c1-4-14(2)26-21-22(28-19-13-25-24-12-18(19)27-21)29-9-7-15(8-10-29)31-20-6-5-16(30-3)11-17(20)23;3-2(4,5)1(6)7/h5-6,11-15H,4,7-10H2,1-3H3,(H,26,27);(H,6,7)/t14-;/m1./s1
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| InChIKey |
CVNCIBFASUYCCO-PFEQFJNWSA-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