General Information of the Compound
| Compound ID |
CP0870042
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| Compound Name |
(3-ethoxy-5-(5-(((4R,5R)-5-ethyl-6-formyl-11,11-dimethyl-3,10-dioxo-4-pentyl-7,9-dioxa-2,6-diazadodecyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C31H46N3O11P
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| Molecular Weight |
667.693
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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)OCOC(=O)C(C)(C)C
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| InChI |
InChI=1S/C31H46N3O11P/c1-7-10-11-12-24(25(8-2)34(19-35)44-20-43-30(38)31(4,5)6)28(36)32-18-33-29(37)27-14-13-26(45-27)21-15-22(42-9-3)17-23(16-21)46(39,40)41/h13-17,19,24-25H,7-12,18,20H2,1-6H3,(H,32,36)(H,33,37)(H2,39,40,41)/t24-,25-/m1/s1
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| InChIKey |
HKTIFVHHZFVXNJ-JWQCQUIFSA-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