General Information of the Compound
| Compound ID |
CP0432704
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| Compound Name |
(3S,6S,12S,17Z,20S,23S)-12-amino-3-butyl-2,5,11,22-tetraoxo-1,4,10,15,21-pentazatricyclo[21.3.0.06,10]hexacos-17-ene-20-carboxylic acid
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| Structure |
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| Formula |
C26H42N6O6
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| Molecular Weight |
534.658
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| Canonical SMILES |
CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCNC\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O
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| InChI |
InChI=1S/C26H42N6O6/c1-2-3-8-18-25(36)32-16-7-11-21(32)23(34)30-19(26(37)38)9-4-5-13-28-14-12-17(27)24(35)31-15-6-10-20(31)22(33)29-18/h4-5,17-21,28H,2-3,6-16,27H2,1H3,(H,29,33)(H,30,34)(H,37,38)/b5-4-/t17-,18-,19-,20-,21-/m0/s1
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| InChIKey |
FKCFHZKTLKUCIY-UGEZWFRVSA-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