General Information of the Compound
| Compound ID |
CP0549115
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| Compound Name |
2-[[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-(cyclopropylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]carbamoylamino]acetic acid
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| Formula |
C36H59N3O5
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| Molecular Weight |
613.884
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| Canonical SMILES |
CC(C)[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)NC(=O)NCC(O)=O
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| InChI |
InChI=1S/C36H59N3O5/c1-21(2)23-12-17-36(39-30(42)37-20-28(40)41)19-18-34(6)24(29(23)36)10-11-26-33(5)15-14-27(44-31(43)38-22-8-9-22)32(3,4)25(33)13-16-35(26,34)7/h21-27,29H,8-20H2,1-7H3,(H,38,43)(H,40,41)(H2,37,39,42)/t23-,24+,25-,26+,27+,29+,33-,34+,35+,36-/m0/s1
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| InChIKey |
JAJSWGIEWHNDSO-JAZUPRQQSA-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