General Information of the Compound
| Compound ID |
CP0442828
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| Compound Name |
US9216182, 1.94
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| Structure |
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| Formula |
C20H32N6O3S
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| Molecular Weight |
436.582
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1nnc(s1)N1CCOCC1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C20H32N6O3S/c27-20(26-10-8-23(9-11-26)16-2-1-3-16)29-17-4-6-24(7-5-17)18-21-22-19(30-18)25-12-14-28-15-13-25/h16-17H,1-15H2
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| InChIKey |
ICRZCXMZSXBNAP-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