General Information of the Compound
| Compound ID |
CP0379678
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| Compound Name |
24-Cyclopropyl-3alpha,7beta-dihydroxy-5beta-cholanamide
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| Structure |
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| Formula |
C27H45NO3
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| Molecular Weight |
431.661
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| Canonical SMILES |
C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C27H45NO3/c1-16(4-9-24(31)28-18-5-6-18)20-7-8-21-25-22(11-13-27(20,21)3)26(2)12-10-19(29)14-17(26)15-23(25)30/h16-23,25,29-30H,4-15H2,1-3H3,(H,28,31)/t16-,17+,19-,20-,21+,22+,23+,25+,26+,27-/m1/s1
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| InChIKey |
DYVCWIDNNCVUOG-DPUIKJEASA-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