General Information of the Compound
| Compound ID |
CP0727554
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| Compound Name |
3-(N-(2-(Naphthalen-2-ylamino)-2-oxoethyl)sulfamoyl)benzamidinium trifluoroacetate
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| Structure |
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| Formula |
C21H19F3N4O5S
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| Molecular Weight |
496.467
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| Canonical SMILES |
N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3ccccc3c2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H18N4O3S.C2HF3O2/c20-19(21)15-6-3-7-17(11-15)27(25,26)22-12-18(24)23-16-9-8-13-4-1-2-5-14(13)10-16;3-2(4,5)1(6)7/h1-11,22H,12H2,(H3,20,21)(H,23,24);(H,6,7)
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| InChIKey |
VRIHNXCVSWFKKO-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