General Information of the Compound
| Compound ID |
CP0465591
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| Compound Name |
(2S)-2-[(22S)-17-fluoro-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10,12,14(33),15(20),16,18-decaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
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| Structure |
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| Formula |
C43H57FN4O6
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| Molecular Weight |
744.949
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| Canonical SMILES |
C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(CNCC(C)(C)O)c3nc(cn23)-c2cccc(c2)-c2cc(F)ccc2O1
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| InChI |
InChI=1S/C43H57FN4O6/c1-27-12-9-10-21-52-43(8)17-19-47(20-18-43)39-36(37(40(49)50)54-41(3,4)5)28(2)33(24-45-26-42(6,7)51)38-46-34(25-48(38)39)30-14-11-13-29(22-30)32-23-31(44)15-16-35(32)53-27/h11,13-16,22-23,25,27,37,45,51H,9-10,12,17-21,24,26H2,1-8H3,(H,49,50)/t27-,37-/m0/s1
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| InChIKey |
ZGZLNMZYTZDTFZ-ZSQPVGNWSA-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