General Information of the Compound
| Compound ID |
CP0918861
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| Compound Name |
(7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H21ClFN5OS
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| Molecular Weight |
457.962
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| Canonical SMILES |
CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)s2)n2nccc2N1
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| InChI |
InChI=1S/C22H21ClFN5OS/c1-14-20(21(17-6-7-18(23)31-17)29-19(26-14)8-9-25-29)22(30)28-12-10-27(11-13-28)16-4-2-15(24)3-5-16/h2-9,21,26H,10-13H2,1H3
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| InChIKey |
HUWWUABLXJGVCC-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