General Information of the Compound
| Compound ID |
CP0542256
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| Compound Name |
3-[(2S)-2-[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-3-(2-morpholin-4-yl-2-oxoethoxy)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propyl]-1,1-dimethylurea
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| Structure |
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| Formula |
C31H53N3O6
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| Molecular Weight |
563.78
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| Canonical SMILES |
C[C@H](CNC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C31H53N3O6/c1-20(18-32-28(37)33(4)5)23-6-7-24-22-16-26(35)31(38)17-21(40-19-27(36)34-12-14-39-15-13-34)8-11-30(31,3)25(22)9-10-29(23,24)2/h20-26,35,38H,6-19H2,1-5H3,(H,32,37)/t20-,21+,22+,23-,24+,25+,26-,29-,30-,31+/m1/s1
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| InChIKey |
VWXNDAQYWCQZPX-WOJMBDDJSA-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