General Information of the Compound
| Compound ID |
CP0634946
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| Compound Name |
psammaplin A
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| Synonyms |
110659-91-1
AC1O46WI
B723735K022
Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(3-bromo-4-hydroxy-alpha-(hydroxyimino)-
Bisprasin
J-002461
NSC-614495
NSC614495
PSAMMAPLIN A
Psammaplin A
SCHEMBL364511
ZINC150352860
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| Structure |
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| Formula |
C22H24Br2N4O6S2
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| Molecular Weight |
664.398
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| Canonical SMILES |
O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O
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| InChI |
InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+
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| InChIKey |
LMAFSGDNHVBIHU-XUIWWLCJSA-N
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| CAS |
110659-91-1
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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
Clinical Information about the Compound
Drug 1 ( PSAMMAPLIN A )
| Drug Name | PSAMMAPLIN A | ||
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