General Information of the Compound
| Compound ID |
CP0541429
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| Compound Name |
(2S,3S)-2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoic cyanic anhydride
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| Structure |
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| Formula |
C27H28ClFN4O4
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| Molecular Weight |
526.996
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC#N
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| InChI |
InChI=1S/C27H28ClFN4O4/c1-3-17(2)22(24(34)37-16-30)31-26(36)32-13-11-27(12-14-32)23(18-7-9-19(28)10-8-18)33(25(27)35)21-6-4-5-20(29)15-21/h4-10,15,17,22-23H,3,11-14H2,1-2H3,(H,31,36)/t17-,22-,23?/m0/s1
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| InChIKey |
KGMXXXLUOOBEMV-QPTFRZOZSA-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