General Information of the Compound
| Compound ID |
CP0915635
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| Compound Name |
(2R,5S,8R,11R)-11-benzyl-5-cyclopropyl-19-fluoro-2,7,8-trimethyl-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 |
C30H39FN4O4
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| Molecular Weight |
538.664
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| Canonical SMILES |
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc(F)cc2O1
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| InChI |
InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-11-12-23)30(38)35(3)20(2)28(36)34-25(16-21-8-5-4-6-9-21)29(37)32-15-7-10-22-13-14-24(31)17-26(22)39-19/h4-6,8-9,13-14,17,19-20,23,25,27,33H,7,10-12,15-16,18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
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| InChIKey |
FSBQWWFVZJJRPA-ABNZCKJZSA-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