General Information of the Compound
| Compound ID |
CP0961797
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| Compound Name |
(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(isoxazol-5-yl)methanone trifluoroacetic acid
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| Structure |
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| Formula |
C27H29F5N6O5
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| Molecular Weight |
612.556
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H28F2N6O3.C2HF3O2/c1-15(2)29-23-24(32-10-6-17(7-11-32)35-21-4-3-16(26)13-18(21)27)31-19-8-12-33(14-20(19)30-23)25(34)22-5-9-28-36-22;3-2(4,5)1(6)7/h3-5,9,13,15,17H,6-8,10-12,14H2,1-2H3,(H,29,30);(H,6,7)
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| InChIKey |
YHLDSNQMUSFINY-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