General Information of the Compound
| Compound ID |
CP0354339
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| Compound Name |
5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C27H35ClN6O2
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| Molecular Weight |
511.07
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC1CC1
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| InChI |
InChI=1S/C27H35ClN6O2/c1-3-22-17-33(25-18(2)30-24(16-29-25)26(35)31-21-8-9-21)14-15-34(22)23-10-12-32(13-11-23)27(36)19-4-6-20(28)7-5-19/h4-7,16,21-23H,3,8-15,17H2,1-2H3,(H,31,35)/t22-/m0/s1
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| InChIKey |
MTQZOCNPQLFHLE-QFIPXVFZSA-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