General Information of the Compound
| Compound ID |
CP0333757
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| Compound Name |
(S)-2-((S)-carboxy(2-(3-(2-chloro-6-methylphenyl)ureido)-2-naphthamido)methylamino)-3-(1H-indol-2-yl)propanoic acid
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| Structure |
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| Formula |
C32H28ClN5O6
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| Molecular Weight |
614.058
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](N[C@@H](Cc1cc2ccccc2[nH]1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C32H28ClN5O6/c1-17-7-6-11-23(33)27(17)37-32(44)36-25-15-19-9-3-2-8-18(19)14-22(25)29(39)38-28(31(42)43)35-26(30(40)41)16-21-13-20-10-4-5-12-24(20)34-21/h2-15,26,28,34-35H,16H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H2,36,37,44)/t26-,28-/m0/s1
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| InChIKey |
SYZZWSCZHRJZNU-XCZPVHLTSA-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