General Information of the Compound
| Compound ID |
CP0406636
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S,3R)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C43H65N5O9
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| Molecular Weight |
796.019
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C43H65N5O9/c1-26(2)22-31(36(49)46-34(40(53)54)25-30-20-16-13-17-21-30)45-39(52)35(28(5)56-42(6,7)8)48-38(51)32(23-27(3)4)44-37(50)33(24-29-18-14-12-15-19-29)47-41(55)57-43(9,10)11/h12-21,26-28,31-35H,22-25H2,1-11H3,(H,44,50)(H,45,52)(H,46,49)(H,47,55)(H,48,51)(H,53,54)/t28-,31-,32-,33+,34+,35+/m1/s1
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| InChIKey |
FLDXQDRQBMEWJC-WWBXDGBDSA-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