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PDB Info pages Status search Chemie search: 35611 results BIRD

A9E

A9E
Name:	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
Formula:	C15 H21 N O2
SMILES:	CCc1ccc(OCC(=O)N2CCCCC2)cc1
InChi:	InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3
Definition date:	2017-08-17
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone

AHW

AHW
Name:	2-ethyl-7-methoxy-naphthalene
Formula:	C13 H14 O
SMILES:	CCc1ccc2ccc(OC)cc2c1
InChi:	InChI=1S/C13H14O/c1-3-10-4-5-11-6-7-13(14-2)9-12(11)8-10/h4-9H,3H2,1-2H3
Definition date:	2017-08-21
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	2-ethyl-7-methoxy-naphthalene

P50

P50
Name:	(19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
Formula:	C40 H76 N O9 P
SMILES:	O=C(CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(N)C=O
InChi:	InChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(41)33-42)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33,37-38H,3-16,19-32,34-36,41H2,1-2H3,(H,45,46)/b18-17-/t37-,38-/m0/s1
Definition date:	2017-10-18
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate

A5E

A5E
Name:	3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one
Formula:	C8 H8 N2 O S
SMILES:	O=C1CCC(=NN1)c2sccc2
InChi:	InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one

A5H

A5H
Name:	3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Formula:	C11 H9 Cl N2 S
SMILES:	Clc1ccc(cc1)C2=CSC3=NCCN23
InChi:	InChI=1S/C11H9ClN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6H2
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

A5K

A5K
Name:	1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
Formula:	C11 H13 Cl F3 N3
SMILES:	FC(F)(F)c1cnc(N2CCCNCC2)c(Cl)c1
InChi:	InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

A5Q

A5Q
Name:	4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
Formula:	C9 H6 F3 N3 S
SMILES:	Nc1snnc1c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-8(13)16-15-14-7/h1-4H,13H2
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine

A5W

A5W
Name:	cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
Formula:	C17 H23 N O2
SMILES:	COc1ccccc1C2CCN(CC2)C(=O)C3CCC3
InChi:	InChI=1S/C17H23NO2/c1-20-16-8-3-2-7-15(16)13-9-11-18(12-10-13)17(19)14-5-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

A65

A65
Name:	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
Formula:	C6 H9 N O S3
SMILES:	CSc1snc(SC)c1CO
InChi:	InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol

A6E

A6E
Name:	3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one
Formula:	C13 H16 F N O2 S
SMILES:	Fc1ccc(OCCC(=O)N2CCSCC2)cc1
InChi:	InChI=1S/C13H16FNO2S/c14-11-1-3-12(4-2-11)17-8-5-13(16)15-6-9-18-10-7-15/h1-4H,5-10H2
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one

A6H

A6H
Name:	6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine
Formula:	C11 H8 Cl2 N2 O
SMILES:	Nc1ccc(Oc2c(Cl)cccc2Cl)nc1
InChi:	InChI=1S/C11H8Cl2N2O/c12-8-2-1-3-9(13)11(8)16-10-5-4-7(14)6-15-10/h1-6H,14H2
Definition date:	2017-08-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine

BJW

BJW
Name:	4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
Formula:	C48 H64 N10 O19 P2 S
SMILES:	CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(CCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8
InChi:	InChI=1S/C48H64N10O19P2S/c1-26(2)55-44(65)32(19-28-20-50-30-14-7-6-13-29(28)30)56-43(64)31(57-47(66)71-21-27-11-4-3-5-12-27)15-8-9-18-54-48(17-10-16-35(59)60)76-40-38(62)34(75-46(40)80-48)23-73-79(69,70)77-78(67,68)72-22-33-37(61)39(63)45(74-33)58-25-53-36-41(49)51-24-52-42(36)58/h3-7,11-14,20,24-26,31-34,37-40,45-46,50,54,61-63H,8-10,15-19,21-23H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,49,51,52)/t31-,32-,33+,34+,37+,38+,39+,40+,45+,46+,48+/m0/s1
Definition date:	2017-10-07
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid

B4K

B4K
Name:	~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide
Formula:	C14 H12 N4 O3
SMILES:	CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3
InChi:	InChI=1S/C14H12N4O3/c1-7(19)15-13-9-3-4-10(16-14(9)18-17-13)8-2-5-11(20)12(21)6-8/h2-6,20-21H,1H3,(H2,15,16,17,18,19)
Definition date:	2017-09-08
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide

B6E

B6E
Name:	~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
Formula:	C26 H17 F4 N5 O4
SMILES:	Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F
InChi:	InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)
Definition date:	2017-09-19
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide

CUY

CUY
Name:	tetracosyl octadecanoate
Formula:	C42 H84 O2
SMILES:	C(CCCCCCCC)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
Definition date:	2017-10-03
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	tetracosyl octadecanoate

D21

D21
Name:	(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
Formula:	C37 H71 O8 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
Definition date:	2017-10-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate

D3D

D3D
Name:	(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate
Formula:	C40 H77 O10 P
SMILES:	P(OCC(O)CO)(O)(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=CCCCCCCCC)=O)=O
InChi:	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17+/t37-,38+/m1/s1
Definition date:	2017-10-16
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	(19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate

BV8

BV8
Name:	3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid
Formula:	C47 H63 N11 O19 P2 S
SMILES:	CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN=C(NCCC(O)=O)S[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)NC(=O)OCc7ccccc7
InChi:	InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(66)31(18-27-19-51-29-13-7-6-12-28(27)29)56-42(65)30(57-47(67)72-20-26-10-4-3-5-11-26)14-8-9-16-49-46(50-17-15-34(59)60)80-45-39(64)37(62)33(76-45)22-74-79(70,71)77-78(68,69)73-21-32-36(61)38(63)44(75-32)58-24-54-35-40(48)52-23-53-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,51,61-64H,8-9,14-18,20-22H2,1-2H3,(H,49,50)(H,55,66)(H,56,65)(H,57,67)(H,59,60)(H,68,69)(H,70,71)(H2,48,52,53)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+/m0/s1
Definition date:	2017-10-15
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid

BVT

BVT
Name:	3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
Formula:	C47 H63 N11 O19 P2 S
SMILES:	CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(NCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8
InChi:	InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(65)31(18-27-19-49-29-13-7-6-12-28(27)29)56-42(64)30(57-46(66)71-20-26-10-4-3-5-11-26)14-8-9-16-53-47(54-17-15-34(59)60)76-39-37(62)33(75-45(39)80-47)22-73-79(69,70)77-78(67,68)72-21-32-36(61)38(63)44(74-32)58-24-52-35-40(48)50-23-51-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,49,53-54,61-63H,8-9,14-18,20-22H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,48,50,51)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+,47-/m0/s1
Definition date:	2017-10-18
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid

8KD

8KD
Name:	2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Formula:	C22 H29 N O3
SMILES:	c1ccccc1CC3(CC(=O)N2CC(O)C2)C5CC4C(C(CC3C4)C5)O
InChi:	InChI=1S/C22H29NO3/c24-19-12-23(13-19)20(25)11-22(10-14-4-2-1-3-5-14)17-6-15-7-18(22)9-16(8-17)21(15)26/h1-5,15-19,21,24,26H,6-13H2/t15-,16+,17-,18+,21-,22-/m0/s1
Definition date:	2017-02-10
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	2-[(1R,2R,3S,5R,6R,7S)-2-benzyl-6-hydroxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one

8NT

8NT
Name:	3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
Formula:	C11 H21 N O4 S3
SMILES:	O[S](=O)(=O)CCCNC(=O)CCCC[CH]1CCSS1
InChi:	InChI=1S/C11H21NO4S3/c13-11(12-7-3-9-19(14,15)16)5-2-1-4-10-6-8-17-18-10/h10H,1-9H2,(H,12,13)(H,14,15,16)/t10-/m0/s1
Definition date:	2017-02-14
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid

8NW

8NW
Name:	5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide
Formula:	C11 H21 N O2 S2
SMILES:	OCCCNC(=O)CCCC[CH]1CCSS1
InChi:	InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1
Definition date:	2017-02-14
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide

AY4

AY4
Name:	2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol
Formula:	C9 H6 F2 N2 O
SMILES:	n2ccc(c1cc(F)cc(c1O)F)n2
InChi:	InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13)
Definition date:	2017-07-28
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	2,4-difluoro-6-(1H-pyrazol-3-yl)phenol

FKM

FKM
Name:	N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide
Formula:	C21 H29 N3 O6 S
SMILES:	C[CH](N[S](=O)(=O)CCCOCN1C=CC(=O)NC1=O)c2cccc(OC3CCCC3)c2
InChi:	InChI=1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
Definition date:	2016-11-04
Last modified:	2017-10-27
Release date:	2017-11-01
Identifier:	3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxy]-~{N}-[(1~{R})-1-(3-cyclopentyloxyphenyl)ethyl]propane-1-sulfonamide

ZQC

ZQC
Name:	4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
Formula:	C16 H13 N3 O S2
SMILES:	CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3
InChi:	InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
Definition date:	2017-01-28
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

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