General Information of the Compound
| Compound ID |
CP0869818
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| Compound Name |
5-(3-(2-aminoethyl)-1H-indol-1-ylsulfonyl)-3-methyl-2,3-dihydrothiazol-2-amine
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| Structure |
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| Formula |
C14H18N4O2S2
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| Molecular Weight |
338.458
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| Canonical SMILES |
CN1C=C(S(=O)(=O)n2cc(CCN)c3ccccc32)SC1N
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| InChI |
InChI=1S/C14H18N4O2S2/c1-17-9-13(21-14(17)16)22(19,20)18-8-10(6-7-15)11-4-2-3-5-12(11)18/h2-5,8-9,14H,6-7,15-16H2,1H3
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| InChIKey |
ZRRZNRTZCFCZFL-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