General Information of the Compound
| Compound ID |
CP0910028
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| Compound Name |
6-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H22N4O2
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| Molecular Weight |
434.499
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| Canonical SMILES |
Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2c(c1)NCCO2
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| InChI |
InChI=1S/C27H22N4O2/c1-17-23(20-12-13-22-21(16-20)28-14-15-33-22)27(32)31-26(29-17)24(18-8-4-2-5-9-18)25(30-31)19-10-6-3-7-11-19/h2-13,16,28-29H,14-15H2,1H3
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| InChIKey |
LNIDUCOHEIENNY-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