General Information of the Compound
| Compound ID |
CP0553596
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| Compound Name |
2-[2-[[[(2S,6S,13S)-13-amino-2-[(4-hydroxyphenyl)methyl]-4,9,14-trioxo-1,5,10-triazacyclotetradecane-6-carbonyl]amino]methyl]phenyl]acetic acid
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| Formula |
C28H35N5O7
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| Molecular Weight |
553.616
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| Canonical SMILES |
N[C@H]1CCNC(=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/C28H35N5O7/c29-22-11-12-30-24(35)10-9-23(28(40)31-16-19-4-2-1-3-18(19)14-26(37)38)33-25(36)15-20(32-27(22)39)13-17-5-7-21(34)8-6-17/h1-8,20,22-23,34H,9-16,29H2,(H,30,35)(H,31,40)(H,32,39)(H,33,36)(H,37,38)/t20-,22-,23-/m0/s1
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| InChIKey |
QXXQYOLAIXPCDN-PMVMPFDFSA-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