General Information of the Compound
| Compound ID |
CP0575889
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| Compound Name |
2-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-butanoyloxy-1-[(2R)-1-hydroxypropan-2-yl]-5a,5b,8,8,11a-pentamethyl-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 |
C36H59NO6
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| Molecular Weight |
601.869
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| Canonical SMILES |
CCCC(=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@@H](C)CO)C1(C)C
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| InChI |
InChI=1S/C36H59NO6/c1-8-9-29(41)43-27-14-15-33(5)25(32(27,3)4)13-16-35(7)26(33)11-10-24-30-23(22(2)21-38)12-17-36(30,19-18-34(24,35)6)31(42)37-20-28(39)40/h22-27,30,38H,8-21H2,1-7H3,(H,37,42)(H,39,40)/t22-,23-,24+,25-,26+,27+,30+,33-,34+,35+,36-/m0/s1
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| InChIKey |
TXRXAAXKTOGRFX-AYUIUTMKSA-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