General Information of the Compound
| Compound ID |
CP0504125
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| Compound Name |
(2S)-N-[(1S)-1-cyclohexyl-2-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]amino]-2-oxoethyl]-2-(methylamino)propanamide
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| Structure |
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| Formula |
C25H39FN4O2
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| Molecular Weight |
446.611
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CCCN(CCc2cccc(F)c2)C1
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| InChI |
InChI=1S/C25H39FN4O2/c1-18(27-2)24(31)29-23(20-9-4-3-5-10-20)25(32)28-22-12-7-14-30(17-22)15-13-19-8-6-11-21(26)16-19/h6,8,11,16,18,20,22-23,27H,3-5,7,9-10,12-15,17H2,1-2H3,(H,28,32)(H,29,31)/t18-,22-,23-/m0/s1
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| InChIKey |
FVHUOYRFKRONMN-TZYHBYERSA-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