General Information of the Compound
| Compound ID |
CP0046266
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| Compound Name |
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]acetyl]amino]pentanoyl]amino]butanoate
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| Structure |
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| Formula |
C34H53N5O8
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| Molecular Weight |
659.825
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)CN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C34H53N5O8/c1-11-18-39(20-26(40)37-28(22(5)12-2)30(42)38-27(21(3)4)32(44)46-10)31(43)25(19-24-16-14-13-15-17-24)36-29(41)23(6)35-33(45)47-34(7,8)9/h11,13-17,21-23,25,27-28H,1,12,18-20H2,2-10H3,(H,35,45)(H,36,41)(H,37,40)(H,38,42)/t22-,23-,25-,27-,28-/m0/s1
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| InChIKey |
SNIZIQRDTSWDJD-DRSPUALDSA-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