General Information of the Compound
| Compound ID |
CP0205853
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| Compound Name |
3-[(6S,12R)-12-benzyl-8-methyl-7,10,13-trioxo-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-6-yl]propanoic acid
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCC(O)=O)C1=O
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| InChI |
InChI=1S/C28H36N4O6/c1-32-19-25(33)31-23(18-20-8-3-2-4-9-20)27(36)30-15-7-11-21-10-5-6-12-24(21)38-17-16-29-22(28(32)37)13-14-26(34)35/h2-6,8-10,12,22-23,29H,7,11,13-19H2,1H3,(H,30,36)(H,31,33)(H,34,35)/t22-,23+/m0/s1
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| InChIKey |
KLDXRARCNIPLDX-XZOQPEGZSA-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