General Information of the Compound
| Compound ID |
CP0216108
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| Compound Name |
CID25105708
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
O=C(CSc1ccccc1)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C22H26N4O2S/c27-21(16-29-18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)26-20-9-5-4-8-19(20)24-22(26)28/h1-9,17H,10-16H2,(H,23,27)(H,24,28)
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| InChIKey |
DBVPQUXUULCVDM-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