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PK3
PK3
Name:6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:C12 H14 N6 O2
SMILES:O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N
InChi:InChI=1S/C12H14N6O2/c1-14-12-15-7-4-6-8(16-11(13)18-10(6)20)5(2-3-19)9(7)17-12/h4,19H,2-3H2,1H3,(H2,14,15,17)(H3,13,16,18,20)
Definition date:2008-10-02
Last modified:2011-06-04
Identifier:6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
PKF
PKF
Name:CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
Formula:C36 H52 N6 O9 P
SMILES:O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O)OCc3ccccc3)CCC4
InChi:InChI=1S/C36H51N6O9P/c1-25(34(45)41-21-12-19-30(41)35(46)50-2)40-52(48,49)31(23-26-13-5-3-6-14-26)39-32(43)28(17-9-10-20-37)38-33(44)29-18-11-22-42(29)36(47)51-24-27-15-7-4-8-16-27/h3-8,13-16,25,28-31H,9-12,17-24,37H2,1-2H3,(H,38,44)(H,39,43)(H2,40,48,49)/p+1/t25-,28-,29-,30-,31+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:methyl N-[(R)-[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl]-L-alanyl-L-prolinate
PLC
PLC
Name:DIUNDECYL PHOSPHATIDYL CHOLINE
Formula:C32 H65 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
InChi:InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(4R,7R)-7-(dodecanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide
PNM
PNM
Name:OPEN FORM - PENICILLIN G
Formula:C16 H20 N2 O4 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2
InChi:InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(23-16)11(9-19)17-12(20)8-10-6-4-3-5-7-10/h3-7,9,11,13-14,18H,8H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1
Definition date:2000-10-23
Last modified:2011-06-04
Identifier:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
PNN
PNN
Name:PENICILLIN G
Formula:C16 H18 N2 O4 S
SMILES:O=C(O)C2N3C(=O)C(NC(=O)Cc1ccccc1)C3SC2(C)C
InChi:InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Definition date:2000-09-13
Last modified:2011-06-04
Identifier:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PO5
PO5
Name:(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
Formula:C25 H30 N8 O3
SMILES:n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)C)cc2)c3ccc4N5CCOCC5
InChi:InChI=1S/C25H30N8O3/c1-31(2)16-19(34)17-36-20-5-3-18(4-6-20)28-25-26-10-9-22(29-25)21-15-27-33-23(21)7-8-24(30-33)32-11-13-35-14-12-32/h3-10,15,19,34H,11-14,16-17H2,1-2H3,(H,26,28,29)/t19-/m0/s1
Definition date:2008-09-17
Last modified:2011-06-04
Identifier:(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
POF
POF
Name:(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
Formula:C24 H27 N3 O5 S
SMILES:O=S(=O)(Oc1cc3c(cc1)C2CCC4(C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N
InChi:InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1
Definition date:2008-02-12
Last modified:2011-06-04
Identifier:(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
PP4
PP4
Name:METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
Formula:C28 H32 N2 O7 P
SMILES:O=CNC(C(=O)NC(Cc2cc1ccccc1cc2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C
InChi:InChI=1S/C28H33N2O7P/c1-19(2)26(29-18-31)27(32)30-25(17-21-13-14-22-11-7-8-12-23(22)15-21)38(34,35)37-24(28(33)36-3)16-20-9-5-4-6-10-20/h4-15,18-19,24-26H,16-17H2,1-3H3,(H,29,31)(H,30,32)(H,34,35)/p-1/t24-,25+,26-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-[(1R)-1-{[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}-2-naphthalen-2-ylethyl]-N~2~-formyl-L-valinamide
PP5
PP5
Name:METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
Formula:C28 H32 N2 O7 P
SMILES:O=C(NC(C(=O)NCP([O-])(=O)OC(C(=O)OC)Cc1ccccc1)C(C)C)Cc3c2ccccc2ccc3
InChi:InChI=1S/C28H33N2O7P/c1-19(2)26(30-25(31)17-22-14-9-13-21-12-7-8-15-23(21)22)27(32)29-18-38(34,35)37-24(28(33)36-3)16-20-10-5-4-6-11-20/h4-15,19,24,26H,16-18H2,1-3H3,(H,29,32)(H,30,31)(H,34,35)/p-1/t24-,26-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-({[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}methyl)-N~2~-(naphthalen-1-ylacetyl)-L-valinamide
PPJ
PPJ
Name:N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)NORVALINE
Formula:C13 H19 N2 O8 P
SMILES:O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC(O)C
InChi:InChI=1S/C13H19N2O8P/c1-7(16)3-11(13(18)19)15-5-10-9(6-23-24(20,21)22)4-14-8(2)12(10)17/h4-5,7,11,16-17H,3,6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-5+/t7-,11-/m0/s1
Definition date:2000-09-26
Last modified:2011-06-04
Identifier:(E,4S)-4-hydroxy-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-norvaline
PPX
PPX
Name:[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE
Formula:C21 H27 N5 O2
SMILES:O=C(NCCNc1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:D-phenylalanyl-N-[2-(pyridin-4-ylamino)ethyl]-L-prolinamide
PQQ
PQQ
Name:PYRROLOQUINOLINE QUINONE
Formula:C14 H6 N2 O8
SMILES:O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23
InChi:InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PR4
PR4
Name:1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:C8 H13 N O5
SMILES:O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1
Definition date:2010-04-02
Last modified:2011-06-04
Identifier:1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
PR7
PR7
Name:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:C8 H13 N O5
SMILES:O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
Definition date:2010-06-07
Last modified:2011-06-04
Identifier:1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
PT2
PT2
Name:[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)
Formula:C14 H14 N4 Pt
SMILES:c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCCN5
InChi:InChI=1S/C12H8N2.C2H6N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)
PTI
PTI
Name:2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL
Formula:C28 H32 N2 O2
SMILES:O(c1ccc(cc1)C4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5
InChi:InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1
Definition date:2003-04-11
Last modified:2011-06-04
Identifier:(1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
PUB
PUB
Name:PHYCOUROBILIN
Formula:C33 H42 N4 O6
SMILES:CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid
PVE
PVE
Name:(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM
Formula:C17 H18 N3 O7
SMILES:O=C(O)CCC(=O)Nc1cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3
InChi:InChI=1S/C17H17N3O7/c21-12-6-8-5-9(19-14(23)1-2-15(24)25)16-18-4-3-10(17(26)27)20(16)11(8)7-13(12)22/h5-7,10H,1-4H2,(H5,18,19,21,22,23,24,25,26,27)/p+1/t10-/m0/s1
Definition date:2008-10-14
Last modified:2011-06-04
Identifier:(1S)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium
PX4
PX4
Name:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C36 H73 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
InChi:InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
Definition date:2004-07-27
Last modified:2011-06-04
Identifier:(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide
QDS
QDS
Name:N-(quinoxalin-2-ylcarbonyl)-D-serine
Formula:C12 H11 N3 O4
SMILES:O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO
InChi:InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1
Definition date:2008-03-11
Last modified:2011-06-04
Identifier:N-(quinoxalin-2-ylcarbonyl)-D-serine
QGG
QGG
Name:1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE
Formula:C15 H16 Cl N5 O4 S
SMILES:O=C(O)C3N(S(=O)(=O)c2cc1c(/N=C(N)N)ncc(Cl)c1cc2)CCC3
InChi:InChI=1S/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/m1/s1
Definition date:2008-02-07
Last modified:2011-06-04
Identifier:1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-D-proline
QI3
QI3
Name:(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
Formula:C17 H16 Cl2 N2 O5 S
SMILES:O=S(=O)(c1ccc(Cl)cc1)N3C(C(=O)NO)CC(Oc2ccc(Cl)cc2)C3
InChi:InChI=1S/C17H16Cl2N2O5S/c18-11-1-5-13(6-2-11)26-14-9-16(17(22)20-23)21(10-14)27(24,25)15-7-3-12(19)4-8-15/h1-8,14,16,23H,9-10H2,(H,20,22)/t14-,16+/m1/s1
Definition date:2011-02-03
Last modified:2011-06-04
Identifier:(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
QID
QID
Name:3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione
Formula:C14 H10 N2 O5 S
SMILES:O=S(=O)(c2ccc1c(C(=O)N(O)C(=O)N1)c2)c3ccccc3
InChi:InChI=1S/C14H10N2O5S/c17-13-11-8-10(6-7-12(11)15-14(18)16(13)19)22(20,21)9-4-2-1-3-5-9/h1-8,19H,(H,15,18)
Definition date:2011-02-08
Last modified:2011-06-04
Identifier:3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione
QIG
QIG
Name:N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Formula:C21 H16 N6
SMILES:n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C
InChi:InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
Definition date:2009-04-06
Last modified:2011-06-04
Identifier:N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
QMS
QMS
Name:N-(QUINOLIN-8-YL)METHANESULFONAMIDE
Formula:C10 H10 N2 O2 S
SMILES:O=S(=O)(Nc1cccc2cccnc12)C
InChi:InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
Definition date:2005-10-24
Last modified:2011-06-04
Identifier:N-quinolin-8-ylmethanesulfonamide

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