General Information of the Compound
| Compound ID |
CP0864156
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| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-((2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-ethoxybenzamido)succinic acid, diammonia salt
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| Structure |
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| Formula |
C39H52N6O14
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| Molecular Weight |
828.873
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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)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc2c(c1)OCCO2.N.N
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| InChI |
InChI=1S/C39H46N4O14.2H3N/c1-4-7-8-9-25(28(5-2)43(22-44)57-39(52)24-11-13-30-33(19-24)55-17-16-54-30)35(47)40-21-41-37(49)31-15-14-29(56-31)23-10-12-26(32(18-23)53-6-3)36(48)42-27(38(50)51)20-34(45)46;;/h10-15,18-19,22,25,27-28H,4-9,16-17,20-21H2,1-3H3,(H,40,47)(H,41,49)(H,42,48)(H,45,46)(H,50,51);2*1H3/t25-,27+,28-;;/m1../s1
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| InChIKey |
XDUJRMUUHSBUGB-QZLBDTBRSA-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