General Information of the Compound
| Compound ID |
CP0575800
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| Compound Name |
US11254663, Example 10
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| Structure |
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| Formula |
C30H33F2N5O3
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| Molecular Weight |
549.622
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| Canonical SMILES |
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
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| InChI |
InChI=1S/C30H33F2N5O3/c31-30(32)15-21(16-30)26(38)37(22-3-1-2-20(14-22)25-33-23(35-39-25)18-4-5-18)17-28-8-11-29(12-9-28,13-10-28)27-34-24(36-40-27)19-6-7-19/h1-3,14,18-19,21H,4-13,15-17H2
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| InChIKey |
VPTBPTRJTATCBB-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