General Information of the Compound
| Compound ID |
CP0336355
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C23H31ClN8O2
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| Molecular Weight |
487.008
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(N)=O
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| InChI |
InChI=1S/C23H31ClN8O2/c1-3-15-13-31(22-14(2)28-18(12-27-22)21(26)33)10-11-32(15)16-6-8-30(9-7-16)23(34)17-4-5-19(24)29-20(17)25/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,25,29)(H2,26,33)/t15-/m0/s1
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| InChIKey |
WUPWWBOWFCZANR-HNNXBMFYSA-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