General Information of the Compound
| Compound ID |
CP0953238
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| Compound Name |
3-(4-(4-chlorophenoxy)piperidin-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 |
C23H23ClF3N5O3
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| Molecular Weight |
509.916
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| Canonical SMILES |
Clc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H22ClN5O.C2HF3O2/c22-14-1-5-16(6-2-14)28-17-8-11-27(12-9-17)21-20(24-15-3-4-15)25-18-7-10-23-13-19(18)26-21;3-2(4,5)1(6)7/h1-2,5-7,10,13,15,17H,3-4,8-9,11-12H2,(H,24,25);(H,6,7)
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| InChIKey |
SQDIHJISINMPOO-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