General Information of the Compound
| Compound ID |
CP0902218
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| Compound Name |
(1-(2-(cyclopropylamino)pyrido[3.4-b]pyrazin-3-yl)piperidin-4-yl)(thiophen-2-yl)methanone 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H22F3N5O3S
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| Molecular Weight |
493.511
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| Canonical SMILES |
O=C(O)C(F)(F)F.O=C(c1cccs1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C20H21N5OS.C2HF3O2/c26-18(17-2-1-11-27-17)13-6-9-25(10-7-13)20-19(22-14-3-4-14)23-15-5-8-21-12-16(15)24-20;3-2(4,5)1(6)7/h1-2,5,8,11-14H,3-4,6-7,9-10H2,(H,22,23);(H,6,7)
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| InChIKey |
DMAGRONCFUBGQN-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