General Information of the Compound
| Compound ID |
CP0875587
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| Compound Name |
(6R,9R,12S)-12-cyclopropyl-6-(4-fluorobenzyl)-9,10-dimethyl-3,4,6,7,9,10,12,13,14,15-decahydrobenzo[b][1,4,7,10,13,16]dioxatetraazacyclooctadecine-5,8,11(2H)-trione
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| Structure |
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| Formula |
C28H35FN4O5
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| Molecular Weight |
526.609
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCOc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C28H35FN4O5/c1-18-26(34)32-22(17-19-7-11-21(29)12-8-19)27(35)31-14-16-38-24-6-4-3-5-23(24)37-15-13-30-25(20-9-10-20)28(36)33(18)2/h3-8,11-12,18,20,22,25,30H,9-10,13-17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,25+/m1/s1
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| InChIKey |
BUKNDCWOFWBNLF-KPCPBYSCSA-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