General Information of the Compound
| Compound ID |
CP0381121
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| Compound Name |
ethyl 2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetate
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| Structure |
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| Formula |
C34H55NO4
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| Molecular Weight |
541.817
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| Canonical SMILES |
CCOC(=O)CNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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| InChI |
InChI=1S/C34H55NO4/c1-9-39-27(37)20-35-29(38)34-17-12-22(21(2)3)28(34)23-10-11-25-31(6)15-14-26(36)30(4,5)24(31)13-16-33(25,8)32(23,7)18-19-34/h22-26,28,36H,2,9-20H2,1,3-8H3,(H,35,38)/t22-,23+,24-,25+,26-,28+,31-,32+,33+,34-/m0/s1
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| InChIKey |
SJOMUXCVWKMSEC-YYUWZDJZSA-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