General Information of the Compound
| Compound ID |
CP0037535
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| Compound Name |
(AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
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| Synonyms |
100158-38-1
102394-31-0
11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)
AF-DX 116
AF-DX-116
BRN 4212983
CHEMBL17045
DSSTox_CID_25674
DSSTox_GSID_45674
DSSTox_RID_81048
NCGC00025002-02
NSC664529
Otenzepad
SX2WTG9R3Z
UNII-SX2WTG9R3Z
UNII-WW6A9TFL2C
WW6A9TFL2C
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| Structure |
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| Formula |
C24H31N5O2
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| Molecular Weight |
421.545
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| Canonical SMILES |
CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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| InChIKey |
UBRKDAVQCKZSPO-UHFFFAOYSA-N
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| CAS |
102394-31-0
100158-38-1
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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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Clinical Information about the Compound