General Information of the Compound
| Compound ID |
CP0385721
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| Compound Name |
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexan-2-yl]carbamate
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| Structure |
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| Formula |
C44H52N4O5
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| Molecular Weight |
716.923
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C44H52N4O5/c1-44(2,3)53-43(52)47-38(41(50)46-30-37(33-19-9-5-10-20-33)34-21-11-6-12-22-34)25-15-16-28-45-42(51)39-29-35-23-13-14-24-36(35)31-48(39)40(49)27-26-32-17-7-4-8-18-32/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,45,51)(H,46,50)(H,47,52)/t38-,39-/m0/s1
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| InChIKey |
LWYKXCKHNLEQOC-YDAXCOIMSA-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