General Information of the Compound
| Compound ID |
CP0440573
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| Compound Name |
pentyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10E,12aR,14bS)-10-(diaminomethylidenehydrazinylidene)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
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| Structure |
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| Formula |
C36H60N4O2
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| Molecular Weight |
580.902
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| Canonical SMILES |
CCCCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC\C(=N/NC(N)=N)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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| InChI |
InChI=1S/C36H60N4O2/c1-9-10-11-22-42-30(41)36-19-14-23(2)24(3)29(36)25-12-13-27-33(6)17-16-28(39-40-31(37)38)32(4,5)26(33)15-18-35(27,8)34(25,7)20-21-36/h12,23-24,26-27,29H,9-11,13-22H2,1-8H3,(H4,37,38,40)/b39-28+/t23-,24+,26+,27-,29+,33+,34-,35-,36+/m1/s1
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| InChIKey |
YLPXJSGUGCSPAF-QIYJYESISA-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