General Information of the Compound
| Compound ID |
CP0418920
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| Compound Name |
(3S,6S)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-5,11-dioxo-19-oxa-4,10-diazatricyclo[18.2.2.06,10]tetracosa-1(23),20(24),21-triene-3-carboxamide
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| Formula |
C34H43N3O6
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| Molecular Weight |
589.733
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| Canonical SMILES |
C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N1)cc2
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| InChI |
InChI=1S/C34H43N3O6/c1-34(23-43-34)31(39)27(21-24-11-6-5-7-12-24)35-32(40)28-22-25-15-17-26(18-16-25)42-20-9-4-2-3-8-14-30(38)37-19-10-13-29(37)33(41)36-28/h5-7,11-12,15-18,27-29H,2-4,8-10,13-14,19-23H2,1H3,(H,35,40)(H,36,41)/t27-,28-,29-,34+/m0/s1
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| InChIKey |
KDMVHKJIOZDWAT-GDDXUJBHSA-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