General Information of the Compound
| Compound ID |
CP0870033
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid, diammonia salt
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| Structure |
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| Formula |
C35H51N6O11P
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| Molecular Weight |
762.798
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc2c(c1)N(C)CCO2.N.N
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| InChI |
InChI=1S/C35H45N4O11P.2H3N/c1-5-8-9-10-27(28(6-2)39(22-40)50-35(43)23-11-12-31-29(19-23)38(4)15-16-48-31)33(41)36-21-37-34(42)32-14-13-30(49-32)24-17-25(47-7-3)20-26(18-24)51(44,45)46;;/h11-14,17-20,22,27-28H,5-10,15-16,21H2,1-4H3,(H,36,41)(H,37,42)(H2,44,45,46);2*1H3/t27-,28-;;/m1../s1
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| InChIKey |
SIVQCQRTJYOFBY-CXOSUTOZSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2