General Information of the Compound
| Compound ID |
CP0173096
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| Compound Name |
(S)-2-Amino-N-(2-{6-[3-((S)-2-amino-propionylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-ethyl)-propionamide
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| Structure |
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| Formula |
C26H30N6O6
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| Molecular Weight |
522.562
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| Canonical SMILES |
C[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@H](C)N)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C26H30N6O6/c1-13(27)25(37)29-9-7-21(33)31-15-3-5-17-19(11-15)23(35)18-6-4-16(12-20(18)24(17)36)32-22(34)8-10-30-26(38)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,37)(H,30,38)(H,31,33)(H,32,34)/t13-,14-/m0/s1
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| InChIKey |
JDMOZUMYYLCUEW-KBPBESRZSA-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