General Information of the Compound
| Compound ID |
CP0456020
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| Compound Name |
US9212187, 35
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| Structure |
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| Formula |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
O=C1NCCc2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc12
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| InChI |
InChI=1S/C25H28N4O2/c30-25-24-5-4-23(17-22(24)8-13-28-25)31-16-2-14-29(19-21-6-11-26-12-7-21)15-9-20-3-1-10-27-18-20/h1,3-7,10-12,17-18H,2,8-9,13-16,19H2,(H,28,30)
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| InChIKey |
VZOWERSIJFPNRY-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