General Information of the Compound
| Compound ID |
CP0077073
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-cyclopropyl-6-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H35ClN8O2
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| Molecular Weight |
527.073
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(=O)NC1CC1
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| InChI |
InChI=1S/C26H35ClN8O2/c1-3-18-15-34(24-16(2)30-21(14-29-24)25(36)31-17-4-5-17)12-13-35(18)19-8-10-33(11-9-19)26(37)20-6-7-22(27)32-23(20)28/h6-7,14,17-19H,3-5,8-13,15H2,1-2H3,(H2,28,32)(H,31,36)/t18-/m0/s1
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| InChIKey |
YTEAELCTVXTNJX-SFHVURJKSA-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