General Information of the Compound
| Compound ID |
CP0347295
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| Compound Name |
(S)-2-Amino-N-({6-[2-((S)-2-amino-3-phenyl-propionylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-3-phenyl-propionamide
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| Structure |
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| Formula |
C36H34N6O6
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| Molecular Weight |
646.704
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)Cc4ccccc4)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C36H34N6O6/c37-29(15-21-7-3-1-4-8-21)35(47)39-19-31(43)41-23-11-13-25-27(17-23)33(45)26-14-12-24(18-28(26)34(25)46)42-32(44)20-40-36(48)30(38)16-22-9-5-2-6-10-22/h1-14,17-18,29-30H,15-16,19-20,37-38H2,(H,39,47)(H,40,48)(H,41,43)(H,42,44)/t29-,30-/m0/s1
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| InChIKey |
VWWXUMMZZXKWJM-KYJUHHDHSA-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