General Information of the Compound
| Compound ID |
CP0442912
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| Compound Name |
US9233953, 78
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| Structure |
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| Formula |
C24H30N4O3S2
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| Molecular Weight |
486.663
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(CC1c1ccc(s1)C1CC1)c1cnc(cn1)C1CC1
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| InChI |
InChI=1S/C24H30N4O3S2/c29-24(18-7-11-33(30,31)12-8-18)28-10-9-27(23-14-25-19(13-26-23)16-1-2-16)15-20(28)22-6-5-21(32-22)17-3-4-17/h5-6,13-14,16-18,20H,1-4,7-12,15H2
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| InChIKey |
XHCVKYQZJSSYOA-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