General Information of the Compound
| Compound ID |
CP0849440
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)-N4-neopentyl-2-(3-phenylpropanamido)succinamide
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| Structure |
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| Formula |
C33H40ClN5O4
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| Molecular Weight |
606.167
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C33H40ClN5O4/c1-33(2,3)22-37-30(41)19-28(38-29(40)16-15-23-10-5-4-6-11-23)32(43)39-27(18-24-12-9-17-35-20-24)31(42)36-21-25-13-7-8-14-26(25)34/h4-14,17,20,27-28H,15-16,18-19,21-22H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)(H,39,43)/t27-,28-/m0/s1
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| InChIKey |
KPRRNVVHNZTZFT-NSOVKSMOSA-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