General Information of the Compound
| Compound ID |
CP0058071
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| Compound Name |
N-tert-butyl-8-[[[(1S,2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropanecarbonyl]amino]methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C29H32F3N5O4
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| Molecular Weight |
571.6
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| Canonical SMILES |
Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C29H32F3N5O4/c1-16-34-26(41-36-16)23-13-22(23)25(38)33-14-18-8-9-20(17-6-5-7-19(12-17)40-29(30,31)32)21-10-11-37(15-24(18)21)27(39)35-28(2,3)4/h5-9,12,22-23H,10-11,13-15H2,1-4H3,(H,33,38)(H,35,39)/t22-,23-/m0/s1
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| InChIKey |
XKDFZZUFCHOVRN-GOTSBHOMSA-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