General Information of the Compound
| Compound ID |
CP0391520
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| Compound Name |
(S)-2-[(S)-2-(3-Amino-propionylamino)-3-cyclohexyl-propionylamino]-5-guanidino-pentanoic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide
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| Structure |
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| Formula |
C27H44N8O4
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| Molecular Weight |
544.701
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| Canonical SMILES |
NCCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C27H44N8O4/c28-14-13-23(36)33-22(17-19-10-5-2-6-11-19)26(39)34-20(12-7-15-32-27(30)31)25(38)35-21(24(29)37)16-18-8-3-1-4-9-18/h1,3-4,8-9,19-22H,2,5-7,10-17,28H2,(H2,29,37)(H,33,36)(H,34,39)(H,35,38)(H4,30,31,32)/t20-,21-,22-/m0/s1
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| InChIKey |
IUVKJPKJDIOETR-FKBYEOEOSA-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