General Information of the Compound
| Compound ID |
CP0511971
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| Compound Name |
2-[2-[[[(3S,6S,10S)-3-amino-6-[(4-hydroxyphenyl)methyl]-4,8,13-trioxo-1,5,9-triazacyclotridecane-10-carbonyl]amino]methyl]phenyl]acetic acid
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| Formula |
C27H33N5O7
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| Molecular Weight |
539.589
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| Canonical SMILES |
N[C@H]1CNC(=O)CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C27H33N5O7/c28-21-15-29-23(34)10-9-22(27(39)30-14-18-4-2-1-3-17(18)12-25(36)37)32-24(35)13-19(31-26(21)38)11-16-5-7-20(33)8-6-16/h1-8,19,21-22,33H,9-15,28H2,(H,29,34)(H,30,39)(H,31,38)(H,32,35)(H,36,37)/t19-,21-,22-/m0/s1
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| InChIKey |
LHEAVDTVJWSJOW-BVSLBCMMSA-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