General Information of the Compound
| Compound ID |
CP0556494
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| Compound Name |
S-propan-2-yl 4-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carbothioate
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| Formula |
C21H26N4O2S
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| Molecular Weight |
398.532
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| Canonical SMILES |
CC(C)SC(=O)N1CCC(CC1)Oc1cc(ncn1)N1CCc2ccccc12
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| InChI |
InChI=1S/C21H26N4O2S/c1-15(2)28-21(26)24-10-8-17(9-11-24)27-20-13-19(22-14-23-20)25-12-7-16-5-3-4-6-18(16)25/h3-6,13-15,17H,7-12H2,1-2H3
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| InChIKey |
CISHLRPEHITLLC-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