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7A1

7A1
Name:	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
Formula:	C28 H35 F N8 O2
SMILES:	CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)nc4)c(F)c3
InChi:	InChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39)
Definition date:	2016-09-21
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

7E4

7E4
Name:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1
Definition date:	2016-10-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

7KO

7KO
Name:	6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
Formula:	C16 H15 Cl N6
SMILES:	c1c(nc(nc1Cl)N)N(Cc2cccnc2)Cc3cnccc3
InChi:	InChI=1S/C16H15ClN6/c17-14-7-15(22-16(18)21-14)23(10-12-3-1-5-19-8-12)11-13-4-2-6-20-9-13/h1-9H,10-11H2,(H2,18,21,22)
Definition date:	2016-11-04
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine

HYV

HYV
Name:	[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
Formula:	C24 H29 N5 O S
SMILES:	O=C(C1CCN(CC1)c2sc(nn2)n3cccc3)N4CCC(CC4)Cc5ccccc5
InChi:	InChI=1S/C24H29N5OS/c30-22(27-14-8-20(9-15-27)18-19-6-2-1-3-7-19)21-10-16-29(17-11-21)24-26-25-23(31-24)28-12-4-5-13-28/h1-7,12-13,20-21H,8-11,14-18H2
Definition date:	2017-01-27
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone

8WB

8WB
Name:	2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
Formula:	C17 H18 O5
SMILES:	COC1=CC=C(C=CC1=O)c2ccc(OC)c(OC)c2OC
InChi:	InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3
Definition date:	2017-03-16
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one

8WE

8WE
Name:	(2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide
Formula:	C29 H45 N O6
SMILES:	CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2C[CH](C)C[CH](CCCC(=O)C[CH](C)CCCC(=O)O1)O2)C
InChi:	InChI=1S/C29H45NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-7,13,18,20-21,24-26,29,34H,8-12,14-17,19H2,1-4H3,(H,30,32)/b6-5+,13-7-,22-18+/t20-,21-,24+,25+,26+,29+/m1/s1
Definition date:	2017-03-16
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	(2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide

92V

92V
Name:	1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Formula:	C15 H16 F3 N3 O2 S
SMILES:	c1c(ccc(c1)n2c(c(cn2)C(NCCCS)=O)C(F)(F)F)OC
InChi:	InChI=1S/C15H16F3N3O2S/c1-23-11-5-3-10(4-6-11)21-13(15(16,17)18)12(9-20-21)14(22)19-7-2-8-24/h3-6,9,24H,2,7-8H2,1H3,(H,19,22)
Definition date:	2017-03-30
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

RD1

RD1
Name:	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
Formula:	C11 H13 O10 P3
SMILES:	c1cc(cc2c1cc(cc2)C(P(O)(=O)O)P(O)(=O)O)OP(=O)(O)O
InChi:	InChI=1S/C11H13O10P3/c12-22(13,14)11(23(15,16)17)9-2-1-8-6-10(21-24(18,19)20)4-3-7(8)5-9/h1-6,11H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
Definition date:	2016-10-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)

RD2

RD2
Name:	[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
Formula:	C11 H12 O7 P2
SMILES:	Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2
InChi:	InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18)
Definition date:	2016-10-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)

RD3

RD3
Name:	{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
Formula:	C7 H11 O10 P3
SMILES:	C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
InChi:	InChI=1S/C7H11O10P3/c8-18(9,10)7(19(11,12)13)5-1-3-6(4-2-5)17-20(14,15)16/h1-4,7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
Definition date:	2016-10-14
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)

Q2N

Q2N
Name:	2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Formula:	C16 H12 F N3 O S
SMILES:	Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1
InChi:	InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)9-15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,20,21)
Definition date:	2017-01-27
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide

9UB

9UB
Name:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
Formula:	C29 H51 N O11 P2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C29H51NO11P2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-39-43(37,38)41-42(35,36)19-26-27(30-24(6)32)29(34)28(33)25(18-31)40-26/h10,12,14,16,25-29,31,33-34H,7-9,11,13,15,17-19H2,1-6H3,(H,30,32)(H,35,36)(H,37,38)/b21-12-,22-14-,23-16-/t25-,26-,27+,28-,29-/m1/s1
Definition date:	2017-07-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid

9WS

9WS
Name:	N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C14 H10 Cl N3 O
SMILES:	c1(cnn2c1cccc2)C(Nc3c(Cl)cccc3)=O
InChi:	InChI=1S/C14H10ClN3O/c15-11-5-1-2-6-12(11)17-14(19)10-9-16-18-8-4-3-7-13(10)18/h1-9H,(H,17,19)
Definition date:	2017-06-20
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

9XA

9XA
Name:	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
Formula:	C23 H31 Cl N6 O3 S
SMILES:	c14n(cc(c(c1)OCCN2CCN(CC2)C)S(C(C)(C)C)(=O)=O)c(c3cc(N)nc(c3)Cl)cn4
InChi:	InChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)
Definition date:	2017-06-21
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine

A0Q

A0Q
Name:	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Formula:	C24 H26 N4 O2
SMILES:	CN1CCN(CC1)c2ccc(OCc3ccccc3)c(c2)C(=O)Nc4cccnc4
InChi:	InChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide

A0T

A0T
Name:	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
Formula:	C19 H21 F4 N5 O3
SMILES:	CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N3CCOCC3)ncc1C(F)(F)F
InChi:	InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone

A1K

A1K
Name:	[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
Formula:	C19 H21 Cl N6 O3
SMILES:	CNc1nc(Nc2ccc(cc2OC)C(=O)N3CCOCC3)nc4[nH]cc(Cl)c14
InChi:	InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone

A1N

A1N
Name:	(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine
Formula:	C21 H25 N5 O2
SMILES:	C[CH]1CN(C[CH](C)O1)c2cc(ncn2)c3n[nH]c4ccc(OC5(C)CC5)cc34
InChi:	InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
Definition date:	2017-08-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine

A3E

A3E
Name:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
Formula:	C21 H26 N6 O
SMILES:	CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3
InChi:	InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine

A3H

A3H
Name:	4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Formula:	C19 H16 N6
SMILES:	Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N)n2)n1
InChi:	InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile

A3K

A3K
Name:	6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Formula:	C15 H12 N4
SMILES:	Cc1cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23
InChi:	InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile

A3Q

A3Q
Name:	4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Formula:	C14 H9 N3 O
SMILES:	Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23
InChi:	InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile

8JM

8JM
Name:	4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
Formula:	C20 H18 N4 O
SMILES:	c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3c4ccc(cc4)O)N
InChi:	InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
Definition date:	2017-02-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol

8JP

8JP
Name:	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide
Formula:	C20 H20 N4 O2
SMILES:	c2(c1ccc(C(=O)NC)nc1)cnc(c(c2CC)c3ccc(cc3)O)N
InChi:	InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
Definition date:	2017-02-09
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide

C7Y

C7Y
Name:	N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
Formula:	C19 H20 N8
SMILES:	c1(nc2c(cc1)ncc2)C(C)Nc3nccc(n3)Nc5cc(C4CC4)nn5
InChi:	InChI=1S/C19H20N8/c1-11(13-4-5-14-15(23-13)6-8-20-14)22-19-21-9-7-17(25-19)24-18-10-16(26-27-18)12-2-3-12/h4-12,20H,2-3H2,1H3,(H3,21,22,24,25,26,27)/t11-/m0/s1
Definition date:	2017-09-18
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine

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건을2024-07-17부터공개중

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