General Information of the Compound
| Compound ID |
CP0166865
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| Compound Name |
(S)-2-Amino-N-(2-{6-[3-((S)-2-amino-3-methyl-butyrylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-ethyl)-3-methyl-butyramide
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| Structure |
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| Formula |
C30H38N6O6
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| Molecular Weight |
578.67
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@@H](N)C(C)C)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C30H38N6O6/c1-15(2)25(31)29(41)33-11-9-23(37)35-17-5-7-19-21(13-17)27(39)20-8-6-18(14-22(20)28(19)40)36-24(38)10-12-34-30(42)26(32)16(3)4/h5-8,13-16,25-26H,9-12,31-32H2,1-4H3,(H,33,41)(H,34,42)(H,35,37)(H,36,38)/t25-,26-/m0/s1
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| InChIKey |
AFLSUIPCIYCKGF-UIOOFZCWSA-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