General Information of the Compound
| Compound ID |
CP0784397
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| Compound Name |
SID3711670
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| Structure |
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| Formula |
C18H19N3OS
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| Molecular Weight |
325.437
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| Canonical SMILES |
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCC3)cc12
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| InChI |
InChI=1S/C18H19N3OS/c1-13-15-12-16(17(22)20-10-6-3-7-11-20)23-18(15)21(19-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
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| InChIKey |
VKDOYLBYHSWAQQ-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