General Information of the Compound
| Compound ID |
CP0244419
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| Compound Name |
N-butyl-11-[[(7S,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-7-yl]sulfanyl]-N-methylundecanamide
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| Structure |
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| Formula |
C34H53NO4S
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| Molecular Weight |
571.868
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| Canonical SMILES |
CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O
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| InChI |
InChI=1S/C34H53NO4S/c1-4-5-21-35(3)30(38)14-12-10-8-6-7-9-11-13-22-40-33-31-26(19-20-34(2)28(31)17-18-29(34)37)25-16-15-24(36)23-27(25)32(33)39/h15-16,23,26,28-29,31,33,36-37H,4-14,17-22H2,1-3H3/t26-,28+,29+,31-,33+,34+/m1/s1
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| InChIKey |
QGAMWWULGQRYLA-XBYJKWJISA-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