General Information of the Compound
| Compound ID |
CP0535813
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| Compound Name |
[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-amino-5-oxopentan-2-yl]-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
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| Structure |
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| Formula |
C26H41NO5
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| Molecular Weight |
447.616
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| Canonical SMILES |
C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O)OC=O
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| InChI |
InChI=1S/C26H41NO5/c1-16(4-7-23(27)30)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(31-14-28)12-17(25)13-22(24)32-15-29/h14-22,24H,4-13H2,1-3H3,(H2,27,30)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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| InChIKey |
LRBKEDCCFKXTGP-BJLOMENOSA-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