General Information of the Compound
| Compound ID |
CP0562940
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| Compound Name |
(7S,10R)-7-benzyl-4-[(2R)-butan-2-yl]-10-methoxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1,3,11,13-tetraene-6,9-dione
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(OC)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1
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| InChI |
InChI=1S/C23H25N3O4/c1-4-15(2)18-19-25-21-23(29-3,12-8-9-13-30-21)22(28)26(19)17(20(27)24-18)14-16-10-6-5-7-11-16/h5-13,15,17H,4,14H2,1-3H3,(H,24,27)/t15-,17+,23-/m1/s1
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| InChIKey |
HFZOLZVOTSSKSM-LPXYKDPNSA-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