General Information of the Compound
| Compound ID |
CP0560194
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| Compound Name |
(2S)-N'-tert-butyl-N-[(2S)-1-[(4-fluoronaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanediamide
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| Formula |
C28H34FN5O5
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| Molecular Weight |
539.608
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12
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| InChI |
InChI=1S/C28H34FN5O5/c1-16-14-23(34-39-16)27(38)32-22(12-13-24(35)33-28(3,4)5)26(37)31-17(2)25(36)30-15-18-10-11-21(29)20-9-7-6-8-19(18)20/h6-11,14,17,22H,12-13,15H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,35)/t17-,22-/m0/s1
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| InChIKey |
LWLBWDRBVUDASR-JTSKRJEESA-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