General Information of the Compound
| Compound ID |
CP0436226
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| Compound Name |
(S)-2-Hydroxy-6a-methyl-4b,5,6,6a,8,10,10a,10b,11,12-decahydro-7,8-diaza-pentaleno[2,1-a]phenanthrene-9-carboxylic acid (pyridin-2-ylmethyl)-amide
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc1c([nH]nc21)C(=O)NCc1ccccn1
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| InChI |
InChI=1S/C26H28N4O2/c1-26-10-9-19-18-8-6-17(31)12-15(18)5-7-20(19)22(26)13-21-23(29-30-24(21)26)25(32)28-14-16-4-2-3-11-27-16/h2-4,6,8,11-12,19-20,22,31H,5,7,9-10,13-14H2,1H3,(H,28,32)(H,29,30)/t19?,20?,22?,26-/m0/s1
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| InChIKey |
HUEZAYQWEHAOOR-JNCCZOJWSA-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