General Information of the Compound
| Compound ID |
CP0848984
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| Compound Name |
3-(4-(5-chloro-2-(difluoromethoxy)benzyl)piperazin-1-yl)-N-cyclopropylpyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H24ClF5N6O3
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| Molecular Weight |
574.938
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| Canonical SMILES |
FC(F)Oc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H23ClF2N6O.C2HF3O2/c23-15-1-4-19(32-22(24)25)14(11-15)13-30-7-9-31(10-8-30)21-20(27-16-2-3-16)28-17-5-6-26-12-18(17)29-21;3-2(4,5)1(6)7/h1,4-6,11-12,16,22H,2-3,7-10,13H2,(H,27,28);(H,6,7)
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| InChIKey |
LZVRZCGOPVXYNX-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