General Information of the Compound
| Compound ID |
CP0189627
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| Compound Name |
US9193736, 40
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| Structure |
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| Formula |
C28H23N5O3
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| Molecular Weight |
477.524
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
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| InChI |
InChI=1S/C28H23N5O3/c34-28(35)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)30-22)31-27-25(13-14-29-33(26)27)32-15-17-36-18-16-32/h1-14H,15-18H2,(H,34,35)/b12-11+
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| InChIKey |
MJTJOIPBOVHNCN-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