General Information of the Compound
| Compound ID |
CP0930789
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| Compound Name |
3-((2S)-1-(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl)-4-methyl-1H-1,2,4-triazol-5(4H)-one
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| Structure |
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| Formula |
C21H21Cl2N7O2
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| Molecular Weight |
474.352
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2n[nH]c(=O)n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C21H21Cl2N7O2/c1-11-17(20(31)29-9-3-4-15(29)19-26-27-21(32)28(19)2)18(30-16(25-11)7-8-24-30)12-5-6-13(22)14(23)10-12/h5-8,10,15,18,25H,3-4,9H2,1-2H3,(H,27,32)/t15-,18?/m0/s1
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| InChIKey |
TUANSRPAGGBPAR-BUSXIPJBSA-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