General Information of the Compound
| Compound ID |
CP0546014
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| Compound Name |
US8901315, 135
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| Structure |
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| Formula |
C23H34N4O2S
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| Molecular Weight |
430.618
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CCN(CC1)C1CCOCC1
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| InChI |
InChI=1S/C23H34N4O2S/c1-16-20-15-21(30-23(20)27(25-16)19-5-3-2-4-6-19)22(28)24-17-7-11-26(12-8-17)18-9-13-29-14-10-18/h15,17-19H,2-14H2,1H3,(H,24,28)
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| InChIKey |
AELREHHFZSJJGU-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