General Information of the Compound
| Compound ID |
CP0431746
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| Compound Name |
ethyl N-[(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]carbamate
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| Structure |
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| Formula |
C28H49NO4
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| Molecular Weight |
463.703
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| Canonical SMILES |
CCOC(=O)NCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C28H49NO4/c1-6-19-23-16-18(30)10-13-28(23,5)22-11-14-27(4)20(8-9-21(27)24(22)25(19)31)17(3)12-15-29-26(32)33-7-2/h17-25,30-31H,6-16H2,1-5H3,(H,29,32)/t17-,18-,19-,20-,21+,22+,23+,24+,25-,27-,28-/m1/s1
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| InChIKey |
CZSAZLBDMASFAT-OZQVOZFGSA-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