General Information of the Compound
| Compound ID |
CP0576198
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| Compound Name |
(3S,6S)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-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 |
C31H45N3O6
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| Molecular Weight |
555.716
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N1)cc2)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C31H45N3O6/c1-21(2)18-24(28(36)31(3)20-40-31)32-29(37)25-19-22-12-14-23(15-13-22)39-17-8-6-4-5-7-11-27(35)34-16-9-10-26(34)30(38)33-25/h12-15,21,24-26H,4-11,16-20H2,1-3H3,(H,32,37)(H,33,38)/t24-,25-,26-,31+/m0/s1
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| InChIKey |
JGOIJEASWGNILT-WJQRCLFPSA-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