General Information of the Compound
| Compound ID |
CP0562305
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| Compound Name |
US9266876, 105
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| Structure |
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| Formula |
C25H26N6OS
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| Molecular Weight |
458.591
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| Canonical SMILES |
O=C(CN1CCCc2ccccc12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H26N6OS/c32-22(16-31-11-5-7-18-6-1-4-10-21(18)31)29-12-14-30(15-13-29)25-23(26-17-33-25)24-27-19-8-2-3-9-20(19)28-24/h1-4,6,8-10,17H,5,7,11-16H2,(H,27,28)
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| InChIKey |
SPCDMBWVTCWWDJ-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