General Information of the Compound
| Compound ID |
CP0421037
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| Compound Name |
US9193736, 65
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| Structure |
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| Formula |
C30H24N6O4
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| Molecular Weight |
532.56
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| Canonical SMILES |
Oc1nc(O)c(o1)-c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
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| InChI |
InChI=1S/C30H24N6O4/c37-29-27(40-30(38)34-29)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)32-22)33-28-25(13-14-31-36(26)28)35-15-17-39-18-16-35/h1-14,37H,15-18H2,(H,34,38)/b12-11+
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| InChIKey |
KSPQGCJJMYSYQN-VAWYXSNFSA-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