General Information of the Compound
| Compound ID |
CP0327296
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| Compound Name |
(S)-2-Amino-N-({6-[2-((S)-2-amino-propionylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-propionamide
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| Structure |
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| Formula |
C24H26N6O6
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| Molecular Weight |
494.508
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| Canonical SMILES |
C[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@H](C)N)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C24H26N6O6/c1-11(25)23(35)27-9-19(31)29-13-3-5-15-17(7-13)21(33)16-6-4-14(8-18(16)22(15)34)30-20(32)10-28-24(36)12(2)26/h3-8,11-12H,9-10,25-26H2,1-2H3,(H,27,35)(H,28,36)(H,29,31)(H,30,32)/t11-,12-/m0/s1
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| InChIKey |
HDFXTITYHSXVMQ-RYUDHWBXSA-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