General Information of the Compound
| Compound ID |
CP0849441
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)-2-(5-methylisoxazole-3-carboxamido)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C29H35ClN6O5
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| Molecular Weight |
583.089
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| Canonical SMILES |
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccccc2Cl)no1
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| InChI |
InChI=1S/C29H35ClN6O5/c1-18-12-24(36-41-18)28(40)35-23(14-25(37)33-17-29(2,3)4)27(39)34-22(13-19-8-7-11-31-15-19)26(38)32-16-20-9-5-6-10-21(20)30/h5-12,15,22-23H,13-14,16-17H2,1-4H3,(H,32,38)(H,33,37)(H,34,39)(H,35,40)/t22-,23-/m0/s1
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| InChIKey |
XRASFZQHAQLDPI-GOTSBHOMSA-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