General Information of the Compound
| Compound ID |
CP0954595
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(3,4-difluorobenzyl)-7,8-dimethyl-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 |
C29H36F2N4O4
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| Molecular Weight |
542.627
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(17-19-9-12-22(30)23(31)16-19)28(37)33-13-5-7-20-6-3-4-8-25(20)39-15-14-32-26(21-10-11-21)29(38)35(18)2/h3-4,6,8-9,12,16,18,21,24,26,32H,5,7,10-11,13-15,17H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1
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| InChIKey |
VNOVTIUSKSRCRV-UFKXBGGNSA-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