General Information of the Compound
| Compound ID |
CP0337930
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
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| Structure |
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| Formula |
C22H28Cl2N8O2
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| Molecular Weight |
507.426
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(N)=O
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| InChI |
InChI=1S/C22H28Cl2N8O2/c1-2-13-12-31(21-18(24)28-16(11-27-21)20(26)33)9-10-32(13)14-5-7-30(8-6-14)22(34)15-3-4-17(23)29-19(15)25/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,25,29)(H2,26,33)/t13-/m0/s1
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| InChIKey |
XKWUNFUNQBEBRO-ZDUSSCGKSA-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