General Information of the Compound
| Compound ID |
CP0081327
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| Compound Name |
5-[(2R,5S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H35ClN6O2
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| Molecular Weight |
499.059
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| Canonical SMILES |
CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC
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| InChI |
InChI=1S/C26H35ClN6O2/c1-5-21-16-32(24-18(3)30-23(14-29-24)25(34)28-4)17(2)15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,28,34)/t17-,21+/m1/s1
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| InChIKey |
MPPFZRPZWYMCCO-UTKZUKDTSA-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