General Information of the Compound
| Compound ID |
CP0533502
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| Compound Name |
(1S,2R,4aS,6aR,6aS,6bR,8aR,10Z,11E,12aR,14bS)-10-(diaminomethylidenehydrazinylidene)-11-(furan-2-ylmethylidene)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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| Structure |
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| Formula |
C36H52N4O3
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| Molecular Weight |
588.837
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C/c6ccco6)\C(=N/NC(N)=N)\C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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| InChI |
InChI=1S/C36H52N4O3/c1-21-12-15-36(30(41)42)17-16-34(6)25(28(36)22(21)2)10-11-27-33(5)20-23(19-24-9-8-18-43-24)29(39-40-31(37)38)32(3,4)26(33)13-14-35(27,34)7/h8-10,18-19,21-22,26-28H,11-17,20H2,1-7H3,(H,41,42)(H4,37,38,40)/b23-19+,39-29+/t21-,22+,26+,27-,28+,33+,34-,35-,36+/m1/s1
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| InChIKey |
HXZOANSPFOIJAE-JYMHNLCNSA-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