General Information of the Compound
| Compound ID |
CP0541624
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| Compound Name |
4-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carbonyl)-amino]-butyric acid
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C24H31N3O4/c28-20-8-7-14-13-27-11-9-16-15-4-1-2-5-18(15)26-23(16)19(27)12-17(14)22(20)24(31)25-10-3-6-21(29)30/h1-2,4-5,14,17,19-20,22,26,28H,3,6-13H2,(H,25,31)(H,29,30)/t14-,17?,19-,20-,22+/m0/s1
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| InChIKey |
ILZUPWALMALDJM-ZMTQNQTKSA-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