General Information of the Compound
| Compound ID |
CP0512408
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| Compound Name |
(2S,5S,8R)-13,14-dimethoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
COc1cc2[nH]c3[C@H](CC(C)C)N4[C@H](Cc3c2cc1OC)C(=O)N[C@@H](C)C4=O
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| InChI |
InChI=1S/C21H27N3O4/c1-10(2)6-15-19-13(7-16-20(25)22-11(3)21(26)24(15)16)12-8-17(27-4)18(28-5)9-14(12)23-19/h8-11,15-16,23H,6-7H2,1-5H3,(H,22,25)/t11-,15-,16+/m0/s1
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| InChIKey |
TUPQWFMUKKBKJL-KNXALSJPSA-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