General Information of the Compound
| Compound ID |
CP0452131
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| Compound Name |
(1R,6S)-5-(3,4-dimethoxyphenyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2C[C@H]12
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| InChI |
InChI=1S/C25H29N3O4/c1-30-22-8-7-19(13-23(22)31-2)24-20-14-21(20)25(29)28(26-24)16-18-5-3-17(4-6-18)15-27-9-11-32-12-10-27/h3-8,13,20-21H,9-12,14-16H2,1-2H3/t20-,21+/m0/s1
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| InChIKey |
QVJXVGDFFQSLTG-LEWJYISDSA-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