General Information of the Compound
| Compound ID |
CP0506629
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| Compound Name |
2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-3-naphthalen-1-ylpropanoic acid
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| Structure |
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| Formula |
C23H23NO3S
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| Molecular Weight |
393.508
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| Canonical SMILES |
OC(=O)C(Cc1cccc2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1
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| InChI |
InChI=1S/C23H23NO3S/c25-22(19(15-28)13-16-7-2-1-3-8-16)24-21(23(26)27)14-18-11-6-10-17-9-4-5-12-20(17)18/h1-12,19,21,28H,13-15H2,(H,24,25)(H,26,27)/t19-,21?/m1/s1
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| InChIKey |
KBAISKLNCDMRRT-YMBRHYMPSA-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