General Information of the Compound
| Compound ID |
CP0011941
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| Compound Name |
US9777008, Compound 219
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| Structure |
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| Formula |
C30H34N4O2
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| Molecular Weight |
482.628
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| Canonical SMILES |
CN1CCC(C1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C30H34N4O2/c1-32-13-12-26(18-32)34-21-31-29-10-9-24(16-30(29)34)23-7-4-8-28(15-23)36-20-27(35)19-33-14-11-22-5-2-3-6-25(22)17-33/h2-10,15-16,21,26-27,35H,11-14,17-20H2,1H3
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| InChIKey |
NLYZVVRPHVZTST-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