General Information of the Compound
| Compound ID |
CP0344871
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| Compound Name |
(S)-2-Amino-N-({6-[2-((S)-2-amino-3-methyl-butyrylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-3-methyl-butyramide
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| Structure |
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| Formula |
C28H34N6O6
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| Molecular Weight |
550.616
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C28H34N6O6/c1-13(2)23(29)27(39)31-11-21(35)33-15-5-7-17-19(9-15)25(37)18-8-6-16(10-20(18)26(17)38)34-22(36)12-32-28(40)24(30)14(3)4/h5-10,13-14,23-24H,11-12,29-30H2,1-4H3,(H,31,39)(H,32,40)(H,33,35)(H,34,36)/t23-,24-/m0/s1
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| InChIKey |
FMNQZFNPAISLBL-ZEQRLZLVSA-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