General Information of the Compound
| Compound ID |
CP0373994
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| Compound Name |
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[2,3-c]pyrazole-5-carboxamide
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| Structure |
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| Formula |
C29H29N7OS
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| Molecular Weight |
523.666
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(-c3ccccc3)c2s1)-c1ccccc1
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| InChI |
InChI=1S/C29H29N7OS/c1-21(20-34-15-17-35(18-16-34)29-30-13-8-14-31-29)32-27(37)25-19-24-26(22-9-4-2-5-10-22)33-36(28(24)38-25)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,32,37)
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| InChIKey |
BAMPXLDVUGWNLH-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