General Information of the Compound
| Compound ID |
CP0519491
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| Compound Name |
US9428500, 15
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| Structure |
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| Formula |
C34H29FN4
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| Molecular Weight |
512.632
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4F)-c4ccccc4)c3c2c1
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| InChI |
InChI=1S/C34H29FN4/c1-38-17-19-39(20-18-38)27-11-7-24(8-12-27)25-10-14-32-30(21-25)33-29(15-16-36-34(33)37-32)28-13-9-26(22-31(28)35)23-5-3-2-4-6-23/h2-16,21-22H,17-20H2,1H3,(H,36,37)
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| InChIKey |
YECHHPQMVZSFCN-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