General Information of the Compound
| Compound ID |
CP0577494
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| Compound Name |
2-[[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-9-propylsulfonyloxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C35H59NO6S
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| Molecular Weight |
621.925
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| Canonical SMILES |
CCCS(=O)(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)NCC(O)=O)C(C)C)C1(C)C
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| InChI |
InChI=1S/C35H59NO6S/c1-9-20-43(40,41)42-27-14-15-32(6)25(31(27,4)5)13-16-34(8)26(32)11-10-24-29-23(22(2)3)12-17-35(29,19-18-33(24,34)7)30(39)36-21-28(37)38/h22-27,29H,9-21H2,1-8H3,(H,36,39)(H,37,38)/t23-,24+,25-,26+,27+,29+,32-,33+,34+,35-/m0/s1
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| InChIKey |
FNJCHSLVJQBHCF-JOBLOWERSA-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