General Information of the Compound
| Compound ID |
CP0347567
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| Compound Name |
4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one
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| Structure |
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| Formula |
C25H30ClN7O2
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| Molecular Weight |
496.015
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1
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| InChI |
InChI=1S/C25H30ClN7O2/c1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33/h2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35)
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| InChIKey |
JPXZSYDJAAJFSV-UHFFFAOYSA-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