General Information of the Compound
| Compound ID |
CP0094999
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| Compound Name |
BW-723C86
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| Structure |
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| Formula |
C16H18N2OS
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| Molecular Weight |
286.4
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| Canonical SMILES |
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
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| InChI |
InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
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| InChIKey |
ALFGDCNSEBJYSP-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
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT01065, Serine/threonine-protein kinase mTOR