General Information of the Compound
| Compound ID |
CP0156140
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-4-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C36H44F2N4O5
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| Molecular Weight |
650.767
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O
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| InChI |
InChI=1S/C36H44F2N4O5/c1-5-12-41(13-6-2)35(45)27-16-23(3)15-26(20-27)34(44)40-30(19-24-17-28(37)21-29(38)18-24)33(43)32-36(46)42(14-11-39-32)22-25-9-7-8-10-31(25)47-4/h7-10,15-18,20-21,30,32-33,39,43H,5-6,11-14,19,22H2,1-4H3,(H,40,44)/t30-,32-,33-/m0/s1
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| InChIKey |
CKFFGTGIMRKKOF-RGRQWMLTSA-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