General Information of the Compound
| Compound ID |
CP0943301
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| Compound Name |
SID87541885
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| Structure |
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| Formula |
C38H45F6N5O6
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| Molecular Weight |
781.795
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C38H45F6N5O6/c1-23-20-49(24(2)22-50)34(51)31-19-30(46-35(52)45-28-12-8-26(9-13-28)37(39,40)41)16-17-32(31)55-25(3)7-5-6-18-54-33(23)21-48(4)36(53)47-29-14-10-27(11-15-29)38(42,43)44/h8-17,19,23-25,33,50H,5-7,18,20-22H2,1-4H3,(H,47,53)(H2,45,46,52)/t23-,24-,25+,33+/m0/s1
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| InChIKey |
KYFLYNQDFVRDAK-GZZJDKGESA-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