General Information of the Compound
| Compound ID |
CP0906233
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| Compound Name |
SID131454588
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| Structure |
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| Formula |
C28H32F3N3O5
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| Molecular Weight |
547.574
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NC1Cc2ccccc2C1
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| InChI |
InChI=1S/C28H32F3N3O5/c29-28(30,31)19-5-7-20(8-6-19)33-27(37)34-14-22(35)15-38-16-25-24(34)10-9-23(39-25)13-26(36)32-21-11-17-3-1-2-4-18(17)12-21/h1-8,21-25,35H,9-16H2,(H,32,36)(H,33,37)/t22-,23-,24+,25-/m0/s1
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| InChIKey |
OYWFTBBPJYKOAT-JBXUNAHCSA-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