General Information of the Compound
| Compound ID |
CP0884811
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| Compound Name |
SID131462446
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| Structure |
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| Formula |
C29H32FN3O2
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| Molecular Weight |
473.592
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| Canonical SMILES |
Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1
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| InChI |
InChI=1S/C29H32FN3O2/c1-20-7-2-3-10-25(20)21-11-13-22(14-12-21)28-26-18-32(15-4-5-16-33(26)27(28)19-34)29(35)31-24-9-6-8-23(30)17-24/h2-3,6-14,17,26-28,34H,4-5,15-16,18-19H2,1H3,(H,31,35)/t26-,27-,28-/m0/s1
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| InChIKey |
YYQAJUNWWVMLNF-KCHLEUMXSA-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