General Information of the Compound
| Compound ID |
CP0014297
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| Compound Name |
US9777008, Compound 242
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| Structure |
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| Formula |
C31H36N6O2
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| Molecular Weight |
524.669
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C31H36N6O2/c1-22(38)36-14-10-27(11-15-36)37-21-34-29-7-6-24(16-30(29)37)25-8-12-32-31(17-25)33-18-28(39)20-35-13-9-23-4-2-3-5-26(23)19-35/h2-8,12,16-17,21,27-28,39H,9-11,13-15,18-20H2,1H3,(H,32,33)
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| InChIKey |
FIRIOTACTJXSNV-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