General Information of the Compound
| Compound ID |
CP0513286
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| Compound Name |
[(1R)-2-[[(2S)-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@H](CC=C)C(=O)NC[C@H](OC(=O)CCC=C)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H31ClN2O4/c1-3-5-12-26(32)34-24(21-10-7-6-8-11-21)19-30-27(33)22(9-4-2)17-25(31)29-18-20-13-15-23(28)16-14-20/h3-4,6-8,10-11,13-16,22,24H,1-2,5,9,12,17-19H2,(H,29,31)(H,30,33)/t22-,24-/m0/s1
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| InChIKey |
OUTNXCDSAXHHKZ-UPVQGACJSA-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