General Information of the Compound
| Compound ID |
CP0935707
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((2-methyl-4-(morpholinomethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C43H53N5O15
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| Molecular Weight |
879.917
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(CN2CCOCC2)cc1C
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| InChI |
InChI=1S/C43H53N5O15/c1-4-6-7-8-30(33(5-2)48(25-49)63-43(59)29-11-9-27(19-26(29)3)22-47-15-17-60-18-16-47)39(54)44-24-45-41(56)35-14-13-34(62-35)28-10-12-31(36(20-28)61-23-38(52)53)40(55)46-32(42(57)58)21-37(50)51/h9-14,19-20,25,30,32-33H,4-8,15-18,21-24H2,1-3H3,(H,44,54)(H,45,56)(H,46,55)(H,50,51)(H,52,53)(H,57,58)/t30-,32+,33-/m1/s1
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| InChIKey |
PVWALIIZFWUSOA-NGYIUDBNSA-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