General Information of the Compound
| Compound ID |
CP0856322
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| Compound Name |
(R)-Nalpha-Diphenylacetyl-{4-[4-(propionylaminomethylcarbonyl)aminobutylaminocarbonyl aminomethyl]benzyl}argininamidetris(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C40H52F3N9O7
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| Molecular Weight |
827.906
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| Canonical SMILES |
CCC(=O)NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C38H51N9O5.C2HF3O2/c1-2-32(48)44-26-33(49)41-21-9-10-22-43-38(52)46-25-28-19-17-27(18-20-28)24-45-35(50)31(16-11-23-42-37(39)40)47-36(51)34(29-12-5-3-6-13-29)30-14-7-4-8-15-30;3-2(4,5)1(6)7/h3-8,12-15,17-20,31,34H,2,9-11,16,21-26H2,1H3,(H,41,49)(H,44,48)(H,45,50)(H,47,51)(H4,39,40,42)(H2,43,46,52);(H,6,7)/t31-;/m1./s1
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| InChIKey |
JWWRHUZKTQWIEX-JSSVAETHSA-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