General Information of the Compound
| Compound ID |
CP0934874
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| Compound Name |
SID131464017
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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 |
Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@H]34)cc2)cc1
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| InChI |
InChI=1S/C29H32FN3O2/c1-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28-26-18-32(15-2-3-16-33(26)27(28)19-34)29(35)31-25-6-4-5-24(30)17-25/h4-14,17,26-28,34H,2-3,15-16,18-19H2,1H3,(H,31,35)/t26-,27-,28-/m1/s1
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| InChIKey |
PLCPTQLGOLLLHP-JCYYIGJDSA-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