General Information of the Compound
| Compound ID |
CP0511439
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| Compound Name |
2-[4-[(2R)-2-acetamido-3-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]-2,2-difluoroacetic acid
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| Structure |
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| Formula |
C37H43F2N5O7
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| Molecular Weight |
707.775
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
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| InChI |
InChI=1S/C37H43F2N5O7/c1-23(45)42-29(21-24-14-16-27(17-15-24)37(38,39)35(50)51)33(48)44-36(18-5-2-6-19-36)34(49)43-30(22-31(40)46)32(47)41-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30H,2,5-6,8,12,18-22H2,1H3,(H2,40,46)(H,41,47)(H,42,45)(H,43,49)(H,44,48)(H,50,51)/t29-,30+/m1/s1
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| InChIKey |
ZQCBHKMISVQNEE-IHLOFXLRSA-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