General Information of the Compound
Compound ID
CP0016253
Compound Name
10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one
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Synonyms
AG-L-66494
GNF-Pf-3800
KP372-1
ST097539
ST50021380
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Structure
Formula
C10H4N6O
Molecular Weight
224.183
Canonical SMILES
O=C1c2ccccc2-c2nc3nnnn3nc12
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InChI
InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H
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InChIKey
DPANHMGWPXVBQI-UHFFFAOYSA-N
Physicochemical Property
logP
0.1257
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
85.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
17

"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).

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PubChem ID
CID: 5113385
SID: 14916826
ChEMBL ID
CHEMBL599894
Clinical Information about the Compound
Drug 1 ( AG-L-66494 )
Drug Name AG-L-66494