General Information of the Compound
| Compound ID |
CP0480647
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
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| Structure |
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| Formula |
C42H63N5O9
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| Molecular Weight |
781.992
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C42H63N5O9/c1-26(2)21-30(44-38(51)33(24-29-19-15-12-16-20-29)47-40(54)56-42(8,9)10)35(48)45-32(23-28-17-13-11-14-18-28)37(50)43-31(22-27(3)4)36(49)46-34(39(52)53)25-55-41(5,6)7/h11-20,26-27,30-34H,21-25H2,1-10H3,(H,43,50)(H,44,51)(H,45,48)(H,46,49)(H,47,54)(H,52,53)/t30-,31-,32+,33+,34+/m1/s1
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| InChIKey |
VISXVQCNOWJSIZ-ZOHVZMGWSA-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