General Information of the Compound
| Compound ID |
CP0451348
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| Compound Name |
US9428500, 13
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| Structure |
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| Formula |
C30H27FN4
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| Molecular Weight |
462.572
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
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| InChI |
InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
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| InChIKey |
YQWWPVUMSDZFRU-GORDUTHDSA-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