General Information of the Compound
| Compound ID |
CP0952689
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| Compound Name |
[(5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxo-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl]-2-(1H-tetrazol-5-ylamino)acetate
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| Formula |
C33H53N5O4
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| Molecular Weight |
583.818
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| Canonical SMILES |
CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)CNc2nnn[nH]2)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1
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| InChI |
InChI=1S/C33H53N5O4/c1-28(2)13-9-14-33(8,42-28)20-10-16-32(7)26(20)21(41-25(40)19-34-27-35-37-38-36-27)18-23-30(5)15-12-24(39)29(3,4)22(30)11-17-31(23,32)6/h20-23,26H,9-19H2,1-8H3,(H2,34,35,36,37,38)/t20-,21+,22-,23+,26-,30-,31+,32+,33+/m0/s1
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| InChIKey |
OSZKGQQFUQVOTH-YPXOKZSOSA-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