General Information of the Compound
| Compound ID |
CP0110088
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| Compound Name |
N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide
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| Synonyms |
(4-isopropyl-3-methanesulfonyl-benzoyl) guanidine methanesulfonate
0543W2JFRZ
159138-81-5
AC1L4343
Benzamide, N-(aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)-, monomethanesulfonate
CARIPORIDE
CAS-159138-81-5
CHEMBL462831
Cariporide mesilate
Cariporide mesylate
Cariporide mesylate (USAN)
Cariporide mesylate [USAN]
D03406
DSSTox_CID_27344
DSSTox_GSID_47344
DSSTox_RID_82284
DTXSID3047344
N-(4-Isopropyl-3-methanesulfonyl-benzoyl)-guanidine
NCGC00254230-01
SCHEMBL221094
Tox21_300231
UNII-0543W2JFRZ
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| Structure |
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| Formula |
C12H17N3O3S
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| Molecular Weight |
283.353
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| Canonical SMILES |
CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
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| InChI |
InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
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| InChIKey |
IWXNYAIICFKCTM-UHFFFAOYSA-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: PT03805, Sodium/hydrogen exchanger 1
Protein ID: PT04308, Sodium/hydrogen exchanger 2
Protein ID: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT02731, Sodium/hydrogen exchanger 5
Clinical Information about the Compound