General Information of the Compound
| Compound ID |
CP0500427
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| Compound Name |
N-[4-({6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C30H28N6O2S
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| Molecular Weight |
536.661
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(c3ccccc3)c3ccccc3)cccc2s1
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| InChI |
InChI=1S/C30H28N6O2S/c1-21(37)33-30-34-28-24(13-8-14-25(28)39-30)38-27-19-26(31-20-32-27)35-15-17-36(18-16-35)29(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19-20,29H,15-18H2,1H3,(H,33,34,37)
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| InChIKey |
CQFSJGBTAKTFEK-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