General Information of the Compound
| Compound ID |
CP0384775
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| Compound Name |
(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-17-[(2R)-4-(2H-tetrazol-5-yl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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| Structure |
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| Formula |
C26H44N4O2
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| Molecular Weight |
444.664
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| Canonical SMILES |
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCc4nn[nH]n4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
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| InChI |
InChI=1S/C26H44N4O2/c1-5-17-21-14-16(31)10-12-26(21,4)20-11-13-25(3)18(7-8-19(25)23(20)24(17)32)15(2)6-9-22-27-29-30-28-22/h15-21,23-24,31-32H,5-14H2,1-4H3,(H,27,28,29,30)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
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| InChIKey |
NGMMYLUHCOHSOR-ZWECCWDJSA-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