General Information of the Compound
| Compound ID |
CP0484376
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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-[2-(2-methoxyethoxy)ethyl]pentanamide
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| Structure |
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| Formula |
C30H53NO5
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| Molecular Weight |
507.756
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| Canonical SMILES |
COCCOCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC
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| InChI |
InChI=1S/C30H53NO5/c1-20(6-9-27(33)31-14-15-36-17-16-34-4)23-7-8-24-28-25(11-13-30(23,24)3)29(2)12-10-22(32)18-21(29)19-26(28)35-5/h20-26,28,32H,6-19H2,1-5H3,(H,31,33)/t20-,21+,22-,23-,24+,25+,26-,28+,29+,30-/m1/s1
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| InChIKey |
CRNSIVFRAASXDS-KIBSRLPBSA-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