General Information of the Compound
| Compound ID |
CP0541014
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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]phenoxy]acetic acid
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| Structure |
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| Formula |
C37H45N5O8
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| Molecular Weight |
687.794
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12
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| InChI |
InChI=1S/C37H45N5O8/c1-24(43)40-30(21-25-14-16-28(17-15-25)50-23-33(45)46)35(48)42-37(18-5-2-6-19-37)36(49)41-31(22-32(38)44)34(47)39-20-8-12-27-11-7-10-26-9-3-4-13-29(26)27/h3-4,7,9-11,13-17,30-31H,2,5-6,8,12,18-23H2,1H3,(H2,38,44)(H,39,47)(H,40,43)(H,41,49)(H,42,48)(H,45,46)/t30-,31+/m1/s1
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| InChIKey |
JDPYMLPVGSMNKO-JSOSNVBQSA-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