General Information of the Compound
| Compound ID |
CP0560323
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| Compound Name |
(4R,8S,11S)-11-amino-N-[[2-(2-amino-2-oxoethyl)phenyl]methyl]-8-[(4-hydroxyphenyl)methyl]-6-oxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide
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| Formula |
C26H35N5O4S2
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| Molecular Weight |
545.731
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| Canonical SMILES |
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1)C(=O)NCc1ccccc1CC(N)=O
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| InChI |
InChI=1S/C26H35N5O4S2/c27-20-9-10-36-37-16-23(26(35)30-14-19-4-2-1-3-18(19)12-24(28)33)31-25(34)13-21(29-15-20)11-17-5-7-22(32)8-6-17/h1-8,20-21,23,29,32H,9-16,27H2,(H2,28,33)(H,30,35)(H,31,34)/t20-,21-,23-/m0/s1
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| InChIKey |
PNPDDZCWSSGLNJ-FUDKSRODSA-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