General Information of the Compound
| Compound ID |
CP0409646
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| Compound Name |
(3S)-N-[(5S)-5-amino-6-(2,2-diphenylethylamino)-6-oxohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C34H38F6N4O6
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| Molecular Weight |
712.688
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H36N4O2.2C2HF3O2/c31-27(17-9-10-18-32-30(36)28-19-24-15-7-8-16-25(24)20-33-28)29(35)34-21-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23;2*3-2(4,5)1(6)7/h1-8,11-16,26-28,33H,9-10,17-21,31H2,(H,32,36)(H,34,35);2*(H,6,7)/t27-,28-;;/m0../s1
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| InChIKey |
VPUWEBBFXUARFV-QLBXQKMFSA-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