General Information of the Compound
| Compound ID |
CP0034742
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| Compound Name |
(R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O
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| Synonyms |
(S)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)indole-2-carboxamide
103420-77-5
1H-Indole-2-carboxamide,
3(S)-(-)-1,3-Dihydro-3-(2-indolecarbonylamino)-1-methyl-5-phenyl-2H-(1,4)benzodiazepin-2-one
CHEBI:4460
CHEMBL9506
DEVAZEPIDE
DSSTox_CID_26092
DSSTox_GSID_46092
DSSTox_RID_81331
Devazepida
Devazepide
Devazepidum
JE6P7QY7NH
L 364718
L-364,718
L-364718
MK 329
MK-329
NCGC00159551-01
UNII-JE6P7QY7NH
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| Structure |
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| Formula |
C25H20N4O2
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| Molecular Weight |
408.461
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| Canonical SMILES |
CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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| InChIKey |
NFHRQQKPEBFUJK-HSZRJFAPSA-N
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| CAS |
103420-77-5
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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: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor
Protein ID: PT06109, Geminin
Clinical Information about the Compound