General Information of the Compound
| Compound ID |
CP0461801
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| Compound Name |
2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionic acid(Ac-Val-Met-Sta-Val-Ala-COOH)
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| Structure |
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| Formula |
C28H51N5O8S
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| Molecular Weight |
617.81
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
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| InChI |
InChI=1S/C28H51N5O8S/c1-14(2)12-20(21(35)13-22(36)33-24(16(5)6)26(38)29-17(7)28(40)41)32-25(37)19(10-11-42-9)31-27(39)23(15(3)4)30-18(8)34/h14-17,19-21,23-24,35H,10-13H2,1-9H3,(H,29,38)(H,30,34)(H,31,39)(H,32,37)(H,33,36)(H,40,41)/t17-,19-,20?,21?,23-,24-/m0/s1
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| InChIKey |
NCWFTLAOCWDZLU-VRROHFLMSA-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