COMPOUND: C15026
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Entry
C15026 Compound
Name
L-365260;
N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
Formula
C24H22N4O2
Exact mass
398.1743
Mol weight
398.4571
Structure
Mol file
KCF file
DB search
Pathway
map07117
Benzodiazepine family
Other DBs
CAS:
118101-09-0
PubChem:
17396023
ChEBI:
79548
NIKKAJI:
J258.436K
LinkDB
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KCF data
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ATOM 30
1 C8y C 19.3508 -14.9896
2 C8y C 19.3448 -16.2095
3 C8x C 18.2830 -14.3615
4 C2y C 20.0888 -17.0513
5 C8x C 18.2819 -16.8420
6 C8x C 17.2143 -14.9955
7 N2x N 21.4710 -17.0513
8 C8x C 17.2201 -16.2198
9 C1y C 22.2207 -16.3486
10 N1y N 20.7776 -14.1598
11 C5x C 22.2148 -14.9194
12 O5x O 23.5873 -14.0552
13 C1a C 20.7201 -12.5429
14 C8y C 20.0900 -18.4800
15 C8x C 18.8782 -19.1810
16 C8x C 18.8794 -20.5810
17 C8x C 20.0924 -21.2800
18 C8x C 21.3042 -20.5790
19 C8x C 21.3030 -19.1790
20 N1b N 23.4024 -17.0800
21 C5a C 24.6149 -16.3800
22 N1b N 25.8273 -17.0800
23 C8y C 27.0397 -16.3800
24 O5a O 24.6149 -14.9802
25 C8x C 28.2373 -17.0715
26 C8y C 29.4498 -16.3716
27 C8x C 29.4499 -14.9716
28 C8x C 28.2524 -14.2801
29 C8x C 27.0399 -14.9800
30 C1a C 30.6809 -17.0826
BOND 33
1 6 8 1
2 7 9 1
3 1 2 2
4 1 10 1
5 1 3 1
6 10 11 1
7 11 12 2
8 13 10 1
9 2 4 1
10 2 5 1
11 3 6 2
12 4 7 2
13 5 8 2
14 11 9 1
15 4 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 9 20 1 #Down
23 20 21 1
24 21 22 1
25 22 23 1
26 21 24 2
27 23 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 23 29 1
33 26 30 1
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