General Information of the Compound
| Compound ID |
CP0445646
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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 ethyl ester
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
CCOC(=O)c1n[nH]c2c1CC1C3CCc4cc(O)ccc4C3CC[C@]21C
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| InChI |
InChI=1S/C22H26N2O3/c1-3-27-21(26)19-17-11-18-16-6-4-12-10-13(25)5-7-14(12)15(16)8-9-22(18,2)20(17)24-23-19/h5,7,10,15-16,18,25H,3-4,6,8-9,11H2,1-2H3,(H,23,24)/t15?,16?,18?,22-/m0/s1
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| InChIKey |
WMQJMIBEOIXGLX-GXNXGTJNSA-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