General Information of the Compound
| Compound ID |
CP0390038
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| Compound Name |
(2S)-2-[[(1R)-1-carboxy-2-[1-[(5S)-5-carboxy-5-[(3-iodobenzoyl)amino]pentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl]carbamoylamino]pentanedioic acid
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| Structure |
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| Formula |
C26H31IN4O12S
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| Molecular Weight |
750.521
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CSC1CC(=O)N(CCCC[C@H](NC(=O)c2cccc(I)c2)C(O)=O)C1=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C26H31IN4O12S/c27-14-5-3-4-13(10-14)21(35)28-15(23(37)38)6-1-2-9-31-19(32)11-18(22(31)36)44-12-17(25(41)42)30-26(43)29-16(24(39)40)7-8-20(33)34/h3-5,10,15-18H,1-2,6-9,11-12H2,(H,28,35)(H,33,34)(H,37,38)(H,39,40)(H,41,42)(H2,29,30,43)/t15-,16-,17-,18?/m0/s1
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| InChIKey |
MLOVPKNIFIVCCO-MKMFJVQNSA-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