General Information of the Compound
| Compound ID |
CP0566018
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| Compound Name |
[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-(2H-tetrazol-5-ylcarbamoyl)-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] butanoate
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| Structure |
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| Formula |
C35H55N5O3
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| Molecular Weight |
593.857
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| Canonical SMILES |
CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]32C)C(=O)Nc2nnn[nH]2)C1(C)C
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| InChI |
InChI=1S/C35H55N5O3/c1-9-10-27(41)43-26-15-16-32(6)24(31(26,4)5)14-17-34(8)25(32)12-11-23-28-22(3)21(2)13-18-35(28,20-19-33(23,34)7)29(42)36-30-37-39-40-38-30/h11,21-22,24-26,28H,9-10,12-20H2,1-8H3,(H2,36,37,38,39,40,42)/t21-,22+,24+,25-,26+,28+,32+,33-,34-,35+/m1/s1
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| InChIKey |
JPWLOVUVPPBICZ-ZDSRQCJTSA-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