General Information of the Compound
| Compound ID |
CP0335747
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-cyclopropylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H32Cl2N8O2
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| Molecular Weight |
547.491
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC1CC1
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| InChI |
InChI=1S/C25H32Cl2N8O2/c1-2-16-14-34(23-21(27)31-19(13-29-23)24(36)30-15-3-4-15)11-12-35(16)17-7-9-33(10-8-17)25(37)18-5-6-20(26)32-22(18)28/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H2,28,32)(H,30,36)/t16-/m0/s1
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| InChIKey |
XUMIGZOWIJCFGP-INIZCTEOSA-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