General Information of the Compound
| Compound ID |
CP0077072
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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-[(2R)-2-hydroxypropyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H34Cl2N8O3
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| Molecular Weight |
565.506
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC[C@@H](C)O
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| InChI |
InChI=1S/C25H34Cl2N8O3/c1-3-16-14-34(23-21(27)31-19(13-29-23)24(37)30-12-15(2)36)10-11-35(16)17-6-8-33(9-7-17)25(38)18-4-5-20(26)32-22(18)28/h4-5,13,15-17,36H,3,6-12,14H2,1-2H3,(H2,28,32)(H,30,37)/t15-,16+/m1/s1
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| InChIKey |
WZCRIIBEXZDQBB-CVEARBPZSA-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