General Information of the Compound
| Compound ID |
CP0173094
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| Compound Name |
(2S,3S)-2-Amino-3-methyl-pentanoic acid (2-{7-[3-((2S,3S)-2-amino-3-methyl-pentanoylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-ethyl)-amide
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| Structure |
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| Formula |
C32H42N6O6
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| Molecular Weight |
606.724
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| Canonical SMILES |
CC[C@H](C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)[C@@H](C)CC)cc3C(=O)c2c1
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| InChI |
InChI=1S/C32H42N6O6/c1-5-17(3)27(33)31(43)35-13-11-25(39)37-19-7-9-21-23(15-19)30(42)24-16-20(8-10-22(24)29(21)41)38-26(40)12-14-36-32(44)28(34)18(4)6-2/h7-10,15-18,27-28H,5-6,11-14,33-34H2,1-4H3,(H,35,43)(H,36,44)(H,37,39)(H,38,40)/t17-,18-,27-,28-/m0/s1
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| InChIKey |
UMAFERSFIRHCQL-LZDLRQINSA-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