General Information of the Compound
| Compound ID |
CP0911467
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8,16,16-tetramethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C31H41FN4O4
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| Molecular Weight |
552.691
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCC(C)(C)c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C31H41FN4O4/c1-20-28(37)35-25(19-21-9-13-23(32)14-10-21)29(38)34-16-15-31(2,3)24-7-5-6-8-26(24)40-18-17-33-27(22-11-12-22)30(39)36(20)4/h5-10,13-14,20,22,25,27,33H,11-12,15-19H2,1-4H3,(H,34,38)(H,35,37)/t20-,25-,27+/m1/s1
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| InChIKey |
ZCABTWZDIUEUJD-WMBPSLEXSA-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