General Information of the Compound
| Compound ID |
CP0431511
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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 (2-pyridin-3-yl-ethyl)-amide
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc1c(n[nH]c21)C(=O)NCCc1cccnc1
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| InChI |
InChI=1S/C27H30N4O2/c1-27-10-8-20-19-7-5-18(32)13-17(19)4-6-21(20)23(27)14-22-24(30-31-25(22)27)26(33)29-12-9-16-3-2-11-28-15-16/h2-3,5,7,11,13,15,20-21,23,32H,4,6,8-10,12,14H2,1H3,(H,29,33)(H,30,31)/t20?,21?,23?,27-/m0/s1
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| InChIKey |
JWDOKNDGPMTOKG-ZOXVPRFXSA-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