General Information of the Compound
| Compound ID |
CP0371021
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| Compound Name |
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-2-oxo-1,3-dipropyl-1,3-diazinane-5-carboxamide
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| Structure |
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| Formula |
C31H41F2N5O4
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| Molecular Weight |
585.696
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| Canonical SMILES |
CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C31H41F2N5O4/c1-3-11-37-19-23(20-38(12-4-2)31(37)42)29(40)35-26(16-22-14-24(32)17-25(33)15-22)28(39)27-30(41)36(13-10-34-27)18-21-8-6-5-7-9-21/h5-9,14-15,17,23,26-28,34,39H,3-4,10-13,16,18-20H2,1-2H3,(H,35,40)/t26-,27-,28-/m0/s1
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| InChIKey |
QJVIDJIKMOAXEF-KCHLEUMXSA-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