General Information of the Compound
| Compound ID |
CP0336356
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| Compound Name |
5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H33ClN6O2
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| Molecular Weight |
485.032
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC
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| InChI |
InChI=1S/C25H33ClN6O2/c1-4-20-16-31(23-17(2)29-22(15-28-23)24(33)27-3)13-14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,15,20-21H,4,9-14,16H2,1-3H3,(H,27,33)/t20-/m0/s1
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| InChIKey |
DTADWPYQDBKQQN-FQEVSTJZSA-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