General Information of the Compound
| Compound ID |
CP0471070
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| Compound Name |
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-(cyclopropylcarbamoyloxy)-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-carboxylic acid
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| Formula |
C33H51NO5
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| Molecular Weight |
541.773
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| Canonical SMILES |
CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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| InChI |
InChI=1S/C33H51NO5/c1-19(35)21-11-16-33(27(36)37)18-17-31(5)22(26(21)33)9-10-24-30(4)14-13-25(39-28(38)34-20-7-8-20)29(2,3)23(30)12-15-32(24,31)6/h20-26H,7-18H2,1-6H3,(H,34,38)(H,36,37)/t21-,22+,23-,24+,25+,26+,30-,31+,32+,33-/m0/s1
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| InChIKey |
QJLNJCPPWSIDLN-IPWKFYNUSA-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