General Information of the Compound
| Compound ID |
CP0555310
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| Compound Name |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(2-morpholin-4-yl-2-oxoethoxy)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
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| Structure |
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| Formula |
C33H53NO4
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| Molecular Weight |
527.79
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| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C33H53NO4/c1-22(2)7-6-8-23(3)26-9-10-27-31-28(12-14-33(26,27)5)32(4)13-11-25(19-24(32)20-29(31)35)38-21-30(36)34-15-17-37-18-16-34/h20,22-23,25-28,31H,6-19,21H2,1-5H3/t23-,25+,26-,27+,28+,31+,32+,33-/m1/s1
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| InChIKey |
VALZBAJIFGBQFR-KGBGALGJSA-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