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63B

63B
Name:	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate
Formula:	C20 H14 F N7 O2 S
SMILES:	n23c(ccc(c1ccc(F)cc1)n2)nnc3Sc4ccc5c(c4)nc(n5)NC(OC)=O
InChi:	InChI=1S/C20H14FN7O2S/c1-30-20(29)24-18-22-15-7-6-13(10-16(15)23-18)31-19-26-25-17-9-8-14(27-28(17)19)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,22,23,24,29)
Definition date:	2016-01-19
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate

63K

63K
Name:	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea
Formula:	C25 H23 F N8 O2 S2
SMILES:	c1cc(ccc1c3ccc2nnc(n2n3)Sc5ccc6nc(NC(NCCN4CCOCC4)=O)sc6c5)F
InChi:	InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)
Definition date:	2016-01-20
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea

65W

65W
Name:	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
Formula:	C20 H18 O3
SMILES:	O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O
InChi:	InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)
Definition date:	2016-02-02
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid

C65

C65
Name:	(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide
Formula:	C15 H13 N3 O2
SMILES:	c1cccc(c1)N=Nc2ccc(cc2)C=CC(NO)=O
InChi:	InChI=1S/C15H13N3O2/c19-15(18-20)11-8-12-6-9-14(10-7-12)17-16-13-4-2-1-3-5-13/h1-11,20H,(H,18,19)/b11-8+,17-16+
Definition date:	2016-05-04
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide

TQL

TQL
Name:	4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
Formula:	C12 H10 N2 O3
SMILES:	ON=C(c1cccnc1)c2ccc(O)cc2O
InChi:	InChI=1S/C12H10N2O3/c15-9-3-4-10(11(16)6-9)12(14-17)8-2-1-5-13-7-8/h1-7,15-17H/b14-12+
Definition date:	2015-11-13
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol

5Q6

5Q6
Name:	[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:	C18 H12 F N O4
SMILES:	Oc1cccc(c1O)C(=O)c2cccc(n2)c3cccc(O)c3F
InChi:	InChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H
Definition date:	2015-11-09
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

5QN

5QN
Name:	methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
Formula:	C25 H29 N3 O6
SMILES:	CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCN=CC3)c(c2)C(=O)OC)C(C)=O
InChi:	InChI=1S/C25H29N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-9,15-16H,4,10-14H2,1-3H3,(H,27,30)
Definition date:	2015-11-10
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate

5QR

5QR
Name:	3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid
Formula:	C14 H12 N2 O4
SMILES:	CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(O)=O
InChi:	InChI=1S/C14H12N2O4/c1-16-8-10(5-6-12(16)17)13(18)15-11-4-2-3-9(7-11)14(19)20/h2-8H,1H3,(H,15,18)(H,19,20)
Definition date:	2015-11-11
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid

5QW

5QW
Name:	~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
Formula:	C17 H23 N3 O3 S
SMILES:	C[CH](CNC(=O)c1ccc2SCCC(=O)Nc2c1)N3CCOCC3
InChi:	InChI=1S/C17H23N3O3S/c1-12(20-5-7-23-8-6-20)11-18-17(22)13-2-3-15-14(10-13)19-16(21)4-9-24-15/h2-3,10,12H,4-9,11H2,1H3,(H,18,22)(H,19,21)/t12-/m0/s1
Definition date:	2015-11-11
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide

5TX

5TX
Name:	((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
Formula:	C5 H10 N O6 P
SMILES:	C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O
InChi:	InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1
Definition date:	2015-12-01
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	[(3~{S},5~{S})-3-methyl-1,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]phosphonic acid

0UH

0UH
Name:	2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)
Formula:	C10 H14 N5 O7 P
SMILES:	P(OCC1OC(CC1O)N2C=3C(N=C2)=C(NC(=O)N=3)N)(O)(=O)O
InChi:	InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Definition date:	2012-06-18
Last modified:	2016-11-16
Identifier:	2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate)

IGU

IGU
Name:	2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	P(=O)(O)(O)OCC1OC(CC1O)N2C=NC3=C(N)NC(=O)N=C23
InChi:	InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Definition date:	1999-07-08
Last modified:	2016-11-16
Identifier:	2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate)

WAQ

WAQ
Name:	PIMELOYL-AMP
Formula:	C17 H24 N5 O10 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCCCC(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C17H24N5O10P/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(27)13(26)9(31-17)6-30-33(28,29)32-11(25)5-3-1-2-4-10(23)24/h7-9,13-14,17,26-27H,1-6H2,(H,23,24)(H,28,29)(H2,18,19,20)/t9-,13-,14-,17-/m1/s1
Definition date:	2015-10-28
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	7-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-7-oxidanylidene-heptanoic acid

79U

79U
Name:	4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
Formula:	C24 H17 Cl F3 N3 O4
SMILES:	CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
Definition date:	2016-09-19
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid

52E

52E
Name:	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol
Formula:	C24 H26 Cl F N4 O5
SMILES:	N(C(N(C(CC(CO)O)COC(Nc1ncc2c(c1)cccc2)=O)C)=O)Cc3c(c(ccc3)F)Cl
InChi:	InChI=1S/C24H26ClFN4O5/c1-30(23(33)28-12-17-7-4-8-20(26)22(17)25)18(10-19(32)13-31)14-35-24(34)29-21-9-15-5-2-3-6-16(15)11-27-21/h2-9,11,18-19,31-32H,10,12-14H2,1H3,(H,28,33)(H,27,29,34)/t18-,19+/m0/s1
Definition date:	2015-07-15
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol

6UX

6UX
Name:	1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea
Formula:	C25 H22 F3 N7 O4 S
SMILES:	CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3
InChi:	InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)
Definition date:	2016-06-29
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea

6UY

6UY
Name:	[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Formula:	C19 H15 F N4 O3
SMILES:	Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3
InChi:	InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1
Definition date:	2016-06-29
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate

6V3

6V3
Name:	1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea
Formula:	C29 H28 N6 O2
SMILES:	CN1CCN(CC1)c2cccc3cc(NC(=O)Nc4ccc(Oc5ccnc6[nH]ccc56)cc4)ccc23
InChi:	InChI=1S/C29H28N6O2/c1-34-15-17-35(18-16-34)26-4-2-3-20-19-22(7-10-24(20)26)33-29(36)32-21-5-8-23(9-6-21)37-27-12-14-31-28-25(27)11-13-30-28/h2-14,19H,15-18H2,1H3,(H,30,31)(H2,32,33,36)
Definition date:	2016-07-01
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	1-[5-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-[4-(1~{H}-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea

6V4

6V4
Name:	N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
Formula:	C32 H34 N6 O4 S
SMILES:	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)N5CCN(C)CC5
InChi:	InChI=1S/C32H34N6O4S/c1-21(2)42-28-19-23(31(40)38-16-14-37(3)15-17-38)12-13-26(28)35-29(39)27-20-43-30(36-27)22-8-7-11-25(18-22)34-32(41)33-24-9-5-4-6-10-24/h4-13,18-21H,14-17H2,1-3H3,(H,35,39)(H2,33,34,41)
Definition date:	2016-07-01
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-4-carboxamide

6V5

6V5
Name:	N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
Formula:	C32 H33 N5 O4 S
SMILES:	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(C)CC5
InChi:	InChI=1S/C32H33N5O4S/c1-21(2)41-28-19-24(32(40)37-16-14-36(3)15-17-37)12-13-26(28)34-30(39)27-20-42-31(35-27)23-9-7-8-22(18-23)29(38)33-25-10-5-4-6-11-25/h4-13,18-21H,14-17H2,1-3H3,(H,33,38)(H,34,39)
Definition date:	2016-07-01
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

6VS

6VS
Name:	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
Formula:	C27 H46 N6 O4
SMILES:	COCCCNc1nc(ncc1C(=O)N(CC(C)C)[CH]2CNC[CH](C2)C(=O)N3CCOCC3)C(C)(C)C
InChi:	InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1
Definition date:	2016-07-06
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide

5P4

5P4
Name:	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Formula:	C20 H24 N2 O4
SMILES:	CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3occc3
InChi:	InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
Definition date:	2015-11-03
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate

5QS

5QS
Name:	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol
Formula:	C21 H25 N7 O
SMILES:	CC(C)(O)CNc1ncc(c(CC2CC2)n1)c3ccnc(Nc4ccncc4)n3
InChi:	InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
Definition date:	2015-11-11
Last modified:	2016-11-11
Release date:	2016-11-16
Identifier:	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol

J7C

J7C
Name:	9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine
Formula:	C12 H18 N8 O3
SMILES:	n1c(c2c(nc1)n(cn2)C3C(C(O)C(CCN/C(N)=N)O3)O)N
InChi:	InChI=1S/C12H18N8O3/c13-9-6-10(18-3-17-9)20(4-19-6)11-8(22)7(21)5(23-11)1-2-16-12(14)15/h3-5,7-8,11,21-22H,1-2H2,(H2,13,17,18)(H4,14,15,16)/t5-,7-,8-,11-/m1/s1
Definition date:	2016-03-03
Last modified:	2016-11-04
Release date:	2016-11-09
Identifier:	9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine

XFC

XFC
Name:	4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
Formula:	C10 H13 F N3 O8 P
SMILES:	P(O)(O)(=O)OCC2OC(N1C=C(C(=NC1=O)N)C=O)C(C2O)F
InChi:	InChI=1S/C10H13FN3O8P/c11-6-7(16)5(3-21-23(18,19)20)22-9(6)14-1-4(2-15)8(12)13-10(14)17/h1-2,5-7,9,16H,3H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7-,9-/m1/s1
Definition date:	2016-09-28
Last modified:	2016-11-04
Release date:	2016-11-09
Identifier:	4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde

<973 974 975 976 977 978 979980981 982 983 984 985 986 987 988 >

224931

건을2024-09-11부터공개중

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