General Information of the Compound
| Compound ID |
CP0362768
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| Compound Name |
(4S,8E)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-16-methyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(17),8,14(18),15-tetraene-2,13-dione
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| Structure |
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| Formula |
C28H37N3O4
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| Molecular Weight |
479.621
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| Canonical SMILES |
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(C)cc(c3)C(=O)N2)c1
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| InChI |
InChI=1S/C28H37N3O4/c1-19(2)22-9-7-8-21(14-22)16-29-17-26(32)25-18-35-11-6-4-5-10-30-27(33)23-12-20(3)13-24(15-23)28(34)31-25/h4,6-9,12-15,19,25-26,29,32H,5,10-11,16-18H2,1-3H3,(H,30,33)(H,31,34)/b6-4+/t25-,26+/m0/s1
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| InChIKey |
GBBLFQQTZWGDGP-RXGYCUGNSA-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