General Information of the Compound
| Compound ID |
CP0128442
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| Compound Name |
N-tert-butyl-5-(3-methoxyphenyl)-8-[[[(1S,2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropanecarbonyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C29H35N5O4
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| Molecular Weight |
517.63
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(CNC(=O)[C@H]2C[C@@H]2c2nc(C)no2)c2CN(CCc12)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C29H35N5O4/c1-17-31-27(38-33-17)24-14-23(24)26(35)30-15-19-9-10-21(18-7-6-8-20(13-18)37-5)22-11-12-34(16-25(19)22)28(36)32-29(2,3)4/h6-10,13,23-24H,11-12,14-16H2,1-5H3,(H,30,35)(H,32,36)/t23-,24-/m0/s1
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| InChIKey |
UXTWCRDHZBXXGV-ZEQRLZLVSA-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