General Information of the Compound
| Compound ID |
CP0006588
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| Compound Name |
US9777008, Compound 255
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| Structure |
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| Formula |
C28H33N7O
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| Molecular Weight |
483.62
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ncc2ccn(C3CCNCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C28H33N7O/c36-25(19-34-13-8-20-3-1-2-4-23(20)18-34)17-31-26-15-21(5-12-30-26)27-32-16-22-9-14-35(28(22)33-27)24-6-10-29-11-7-24/h1-5,9,12,14-16,24-25,29,36H,6-8,10-11,13,17-19H2,(H,30,31)
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| InChIKey |
ICEKRFYVADUYCB-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