General Information of the Compound
| Compound ID |
CP0659596
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| Compound Name |
N-(3beta-hydroxy-delta5-cholen-24-oyl)-5-hydroxy-L-tryptophan
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| Structure |
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| Formula |
C35H48N2O5
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| Molecular Weight |
576.778
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C35H48N2O5/c1-20(4-11-32(40)37-31(33(41)42)16-21-19-36-30-10-6-23(38)18-26(21)30)27-8-9-28-25-7-5-22-17-24(39)12-14-34(22,2)29(25)13-15-35(27,28)3/h5-6,10,18-20,24-25,27-29,31,36,38-39H,4,7-9,11-17H2,1-3H3,(H,37,40)(H,41,42)/t20-,24+,25+,27-,28+,29+,31+,34+,35-/m1/s1
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| InChIKey |
HEPBSTCQMBJWNT-GVKUVPEFSA-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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