General Information of the Compound
| Compound ID |
CP0874781
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| Compound Name |
SID131412255
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| Structure |
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| Formula |
C37H46F4N4O5
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| Molecular Weight |
702.79
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| Canonical SMILES |
C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
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| InChI |
InChI=1S/C37H46F4N4O5/c1-24-20-45(25(2)23-46)35(47)32-19-31(43-36(48)42-30-14-12-29(38)13-15-30)16-17-33(32)50-26(3)7-5-6-18-49-34(24)22-44(4)21-27-8-10-28(11-9-27)37(39,40)41/h8-17,19,24-26,34,46H,5-7,18,20-23H2,1-4H3,(H2,42,43,48)/t24-,25-,26-,34-/m0/s1
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| InChIKey |
PIPSXTOHKBCCEO-GAQVVXLESA-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