General Information of the Compound
| Compound ID |
CP0439735
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| Compound Name |
3-[bis[(5-bromothiophen-2-yl)methyl]amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C14H11Br2N3O2S2
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| Molecular Weight |
477.203
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| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(Cc1ccc(Br)s1)Cc1ccc(Br)s1
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| InChI |
InChI=1S/C14H11Br2N3O2S2/c15-11-3-1-8(22-11)6-19(7-9-2-4-12(16)23-9)13-5-10(14(20)21)17-18-13/h1-5H,6-7H2,(H,17,18)(H,20,21)
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| InChIKey |
XTRPMODDYDRAEM-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