General Information of the Compound
| Compound ID |
CP0567670
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| Compound Name |
3-(2H-tetrazol-5-ylamino)propyl (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-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 |
C34H53N5O3
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| Molecular Weight |
579.83
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCCNc1nnn[nH]1
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| InChI |
InChI=1S/C34H53N5O3/c1-21-11-16-34(28(41)42-20-8-19-35-29-36-38-39-37-29)18-17-32(6)23(27(34)22(21)2)9-10-25-31(5)14-13-26(40)30(3,4)24(31)12-15-33(25,32)7/h9,21-22,24-25,27H,8,10-20H2,1-7H3,(H2,35,36,37,38,39)/t21-,22+,24+,25-,27+,31+,32-,33-,34+/m1/s1
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| InChIKey |
PSIMPBNCLCTZTK-SWPDCDHQSA-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