General Information of the Compound
| Compound ID |
CP0568714
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| Compound Name |
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
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| Structure |
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| Formula |
C32H57NO8
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| Molecular Weight |
583.807
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| Canonical SMILES |
CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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| InChI |
InChI=1S/C32H57NO8/c1-18(6-9-27(38)33(4)16-24(36)29(39)30(40)25(37)17-34)21-7-8-22-28-23(11-13-32(21,22)3)31(2)12-10-20(35)14-19(31)15-26(28)41-5/h18-26,28-30,34-37,39-40H,6-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24+,25-,26-,28+,29-,30-,31+,32-/m1/s1
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| InChIKey |
BQBQHQCARKVFLJ-NOALLCQMSA-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