General Information of the Compound
| Compound ID |
CP0557190
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| Compound Name |
(2S)-2-[(22S)-17-fluoro-4,22,28-trimethyl-5-[(propan-2-ylamino)methyl]-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 |
C42H55FN4O5
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| Molecular Weight |
714.923
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| Canonical SMILES |
CC(C)NCc1c(C)c([C@H](OC(C)(C)C)C(O)=O)c2N3CCC(C)(CC3)OCCCC[C@H](C)Oc3ccc(F)cc3-c3cccc(c3)-c3cn2c1n3
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| InChI |
InChI=1S/C42H55FN4O5/c1-26(2)44-24-33-28(4)36(37(40(48)49)52-41(5,6)7)39-46-19-17-42(8,18-20-46)50-21-10-9-12-27(3)51-35-16-15-31(43)23-32(35)29-13-11-14-30(22-29)34-25-47(39)38(33)45-34/h11,13-16,22-23,25-27,37,44H,9-10,12,17-21,24H2,1-8H3,(H,48,49)/t27-,37-/m0/s1
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| InChIKey |
WNEZKPMBXQISJP-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