General Information of the Compound
| Compound ID |
CP0962315
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| Compound Name |
2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine trifluoroacetic acid
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| Structure |
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| Formula |
C29H37F5N6O4
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| Molecular Weight |
628.643
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C(=O)[C@@H]1CCCN1C)C2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H36F2N6O2.C2HF3O2/c1-17(2)30-25-26(34-12-8-19(9-13-34)37-24-7-6-18(28)15-20(24)29)32-21-10-14-35(16-22(21)31-25)27(36)23-5-4-11-33(23)3;3-2(4,5)1(6)7/h6-7,15,17,19,23H,4-5,8-14,16H2,1-3H3,(H,30,31);(H,6,7)/t23-;/m0./s1
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| InChIKey |
IRNZDSOWDYDZMC-BQAIUKQQSA-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