General Information of the Compound
| Compound ID |
CP0472555
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| Compound Name |
(8R,9S,10R,13S,14S)-10,13-dimethyl-3-(2H-tetrazol-5-yl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C20H26N4O
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| Molecular Weight |
338.455
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)c3nnn[nH]3)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C20H26N4O/c1-19-9-7-12(18-21-23-24-22-18)11-13(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h3,11,14-16H,4-10H2,1-2H3,(H,21,22,23,24)/t14-,15-,16-,19-,20-/m0/s1
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| InChIKey |
HVXDOJKJRIHIDP-UKSSEWCLSA-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