General Information of the Compound
| Compound ID |
CP0506701
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| Compound Name |
US9193736, 102
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| Structure |
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| Formula |
C29H23N7O3
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| Molecular Weight |
517.549
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| Canonical SMILES |
O=c1[nH]c(no1)-c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
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| InChI |
InChI=1S/C29H23N7O3/c37-29-33-27(34-39-29)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)31-22)32-28-25(13-14-30-36(26)28)35-15-17-38-18-16-35/h1-14H,15-18H2,(H,33,34,37)/b12-11+
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| InChIKey |
QTGMPUCCZODQAV-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