General Information of the Compound
| Compound ID |
CP0357627
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| Compound Name |
(2S,3R)-2-amino-N-(2-{[7-({2-[(2S,3R)-2-amino-3-hydroxybutanamido]ethyl}carbamoyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]formamido}ethyl)-3-hydroxybutanamide
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| Structure |
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| Formula |
C28H34N6O8
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| Molecular Weight |
582.614
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| Canonical SMILES |
C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O
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| InChI |
InChI=1S/C28H34N6O8/c1-13(35)21(29)27(41)33-9-7-31-25(39)15-3-5-17-19(11-15)24(38)20-12-16(4-6-18(20)23(17)37)26(40)32-8-10-34-28(42)22(30)14(2)36/h3-6,11-14,21-22,35-36H,7-10,29-30H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t13-,14-,21+,22+/m1/s1
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| InChIKey |
FLFVCOYRMLTFJO-WRMVBYCNSA-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