General Information of the Compound
| Compound ID |
CP0555420
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| Compound Name |
1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperazin-2-one;hydrochloride
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| Formula |
C26H33ClN8O3
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| Molecular Weight |
541.056
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| Canonical SMILES |
Cl.CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCNCC1=O
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| InChI |
InChI=1S/C26H32N8O3.ClH/c1-17(2)25-30-26(37-31-25)32-9-6-20(7-10-32)36-23-14-22(28-16-29-23)34-11-5-18-13-19(3-4-21(18)34)33-12-8-27-15-24(33)35;/h3-4,13-14,16-17,20,27H,5-12,15H2,1-2H3;1H
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| InChIKey |
IYAUNEVGWCYXIN-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