General Information of the Compound
| Compound ID |
CP0574852
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| Compound Name |
(2S)-N'-tert-butyl-N-[(2S)-1-[(4-fluoronaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)pentanediamide
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| Formula |
C32H39FN4O4
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| Molecular Weight |
562.686
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12
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| InChI |
InChI=1S/C32H39FN4O4/c1-21(30(40)34-20-23-15-16-26(33)25-13-9-8-12-24(23)25)35-31(41)27(17-19-29(39)37-32(2,3)4)36-28(38)18-14-22-10-6-5-7-11-22/h5-13,15-16,21,27H,14,17-20H2,1-4H3,(H,34,40)(H,35,41)(H,36,38)(H,37,39)/t21-,27-/m0/s1
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| InChIKey |
LEKFHXQPKLJWJC-IDISGSTGSA-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