General Information of the Compound
| Compound ID |
CP0556881
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| Compound Name |
US9199981, F145
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| Structure |
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| Formula |
C28H31F2N7O3
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| Molecular Weight |
551.598
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CN3CCN(CCO)CC3)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C28H31F2N7O3/c1-18-2-4-20(25-33-27(40-34-25)21-13-28(29,30)14-21)12-22(18)32-26(39)23-15-31-24-5-3-19(17-37(23)24)16-36-8-6-35(7-9-36)10-11-38/h2-5,12,15,17,21,38H,6-11,13-14,16H2,1H3,(H,32,39)
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| InChIKey |
FLGYJSZOORSFEH-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