General Information of the Compound
| Compound ID |
CP0874851
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| Compound Name |
((S)-2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl)(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
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| Structure |
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| Formula |
C20H19Cl2N7OS
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| Molecular Weight |
476.393
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2nnc(N)s2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C20H19Cl2N7OS/c1-10-16(19(30)28-8-2-3-14(28)18-26-27-20(23)31-18)17(29-15(25-10)6-7-24-29)11-4-5-12(21)13(22)9-11/h4-7,9,14,17,25H,2-3,8H2,1H3,(H2,23,27)/t14-,17?/m0/s1
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| InChIKey |
BDYBLGGUAVCWTC-MBIQTGHCSA-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