General Information of the Compound
| Compound ID |
CP0236330
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| Compound Name |
(S)-6-amino-2-(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)hexanoic acid
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| Structure |
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| Formula |
C25H27ClN4O4
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| Molecular Weight |
482.968
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CCCCN)C(O)=O
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| InChI |
InChI=1S/C25H27ClN4O4/c1-15-7-6-10-19(26)22(15)30-25(34)29-21-14-17-9-3-2-8-16(17)13-18(21)23(31)28-20(24(32)33)11-4-5-12-27/h2-3,6-10,13-14,20H,4-5,11-12,27H2,1H3,(H,28,31)(H,32,33)(H2,29,30,34)/t20-/m0/s1
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| InChIKey |
FETTYSDEBMZFTP-FQEVSTJZSA-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