General Information of the Compound
| Compound ID |
CP0935668
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-(((6R,7R)-6-ethyl-5-formyl-3,8-dioxo-7-pentyl-4-oxa-2,5,9-triazadecan-10-yl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C32H41N5O14
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| Molecular Weight |
719.701
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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)NC
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| InChI |
InChI=1S/C32H41N5O14/c1-4-6-7-8-19(22(5-2)37(17-38)51-32(48)33-3)28(43)34-16-35-30(45)24-12-11-23(50-24)18-9-10-20(25(13-18)49-15-27(41)42)29(44)36-21(31(46)47)14-26(39)40/h9-13,17,19,21-22H,4-8,14-16H2,1-3H3,(H,33,48)(H,34,43)(H,35,45)(H,36,44)(H,39,40)(H,41,42)(H,46,47)/t19-,21+,22-/m1/s1
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| InChIKey |
GZOFRRZCHGCKMR-BAGYTPMASA-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