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Fragment 35 / 2048

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Occurence in dataset DUD cdk2

TotalPresentAbsent
All compounds1779811968
'active' compounds471334
'decoy' compounds1732798934

Compounds including the fragment

'active' compounds
1
2
3
4
5
6
7
8
9
10
More compounds
'decoy' compounds
1
2
3
4
5
6
7
8
9
10
More compounds

Matching compound: CC1=CC(=CC(=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN)C(=O)N)N)C)O

MatchCompound
Yes

Sub and super fragments

Match
Yes (Exclusive): this sub/super fragment and the fragment always match the compound at the same location/s. I.e., the smaller fragment does not match elsewhere separately.
Sub Fragment
1Yes (Exclusive)
2Yes (Exclusive)