General Information of the Compound
| Compound ID |
CP0448595
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| Compound Name |
((S)-2-Hydroxy-6a-methyl-4b,6,6a,10,10a,10b,11,12-octahydro-5H-7,8-diaza-pentaleno[2,1-a]phenanthren-8-yl)-acetic acid methyl 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 |
COC(=O)Cn1cc2CC3C4CCc5cc(O)ccc5C4CC[C@]3(C)c2n1
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| InChI |
InChI=1S/C22H26N2O3/c1-22-8-7-17-16-6-4-15(25)9-13(16)3-5-18(17)19(22)10-14-11-24(23-21(14)22)12-20(26)27-2/h4,6,9,11,17-19,25H,3,5,7-8,10,12H2,1-2H3/t17?,18?,19?,22-/m0/s1
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| InChIKey |
LBHLXRSCRQWUHK-MUJSTJFPSA-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