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WYJ
WYJ
Name:[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
Formula:C16 H18 N4 O2
SMILES:c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4
InChi:InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
RWC
RWC
Name:(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
Formula:C21 H21 N3 O4
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2ccccc21)C(=O)O
InChi:InChI=1S/C21H21N3O4/c25-19(13-5-7-16(8-6-13)22-21(28)23-17-9-10-17)24-12-15(20(26)27)11-14-3-1-2-4-18(14)24/h1-8,15,17H,9-12H2,(H,26,27)(H2,22,23,28)/t15-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
S3E
S3E
Name:[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Formula:C12 H14 N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]ccc12
InChi:InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
7IB
7IB
Name:8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
Formula:C14 H14 N2 O4
SMILES:Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O
InChi:InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20)
Definition date:2021-08-05
Last modified:2022-07-08
Release date:2022-07-13
Identifier:8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
D9X
D9X
Name:(2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate
Formula:C63 H81 N5 O14
SMILES:CC(C)CN1CCN(CC1)c1cc2OC3C4NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC5(C)Oc6c(C)c(O)c(C4=O)c(C3=Nc2c(OCc2ccc(CN3CCOCC3)cc2)c1)c6C5=O
InChi:InChI=1S/C63H81N5O14/c1-34(2)31-66-20-22-68(23-21-66)44-29-46(78-33-43-17-15-42(16-18-43)32-67-24-27-77-28-25-67)51-47(30-44)81-60-52(64-51)48-49-56(72)40(8)59-50(48)61(74)63(10,82-59)79-26-19-45(76-11)37(5)58(80-41(9)69)39(7)55(71)38(6)54(70)35(3)13-12-14-36(4)62(75)65-53(60)57(49)73/h12-19,26,29-30,34-35,37-39,45,53-55,58,60,70-72H,20-25,27-28,31-33H2,1-11H3,(H,65,75)/b13-12+,26-19+,36-14-/t35-,37+,38+,39+,45-,53-,54-,55+,58+,60?,63-/m0/s1
Definition date:2021-11-29
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate
O20
O20
Name:(2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid
Formula:C36 H46 Cl N3 O3
SMILES:O=C(O)C(OC(C)(C)C)c1c(N2CCC(C)(C)CC2)c(cnc1C)c1ccc2CN(CCc2c1)Cc1c(C)cccc1Cl
InChi:InChI=1S/C36H46ClN3O3/c1-23-9-8-10-30(37)29(23)22-39-16-13-25-19-26(11-12-27(25)21-39)28-20-38-24(2)31(33(34(41)42)43-35(3,4)5)32(28)40-17-14-36(6,7)15-18-40/h8-12,19-20,33H,13-18,21-22H2,1-7H3,(H,41,42)/t33-/m0/s1
Definition date:2022-04-17
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid
RG5
RG5
Name:7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
Formula:C15 H13 F N8 O
SMILES:Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn[NH]1
InChi:InChI=1S/C15H13FN8O/c16-8-1-2-9-10(5-8)19-14-12(9)15(18-7-17-14)24-3-4-25-11(6-24)13-20-22-23-21-13/h1-2,5,7,11H,3-4,6H2,(H,17,18,19)(H,20,21,22,23)/t11-/m1/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
5ZH
5ZH
Name:8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one
Formula:C26 H22 F3 N7 O2
SMILES:COc1ccc(cn1)c2ccc3NC(=O)c4nnn(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2
InChi:InChI=1S/C26H22F3N7O2/c1-38-22-7-3-16(14-31-22)15-2-5-20-18(12-15)24-23(25(37)32-20)33-34-36(24)17-4-6-21(19(13-17)26(27,28)29)35-10-8-30-9-11-35/h2-7,12-14,30H,8-11H2,1H3,(H,32,37)
Definition date:2021-09-03
Last modified:2022-07-01
Release date:2022-07-06
Identifier:8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5~{H}-[1,2,3]triazolo[4,5-c]quinolin-4-one
RI7
RI7
Name:methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
Formula:C17 H17 F N4 O3
SMILES:O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O3/c1-24-14(23)7-11-8-22(4-5-25-11)17-15-12-3-2-10(18)6-13(12)21-16(15)19-9-20-17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,19,20,21)/t11-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-01
Release date:2022-07-06
Identifier:methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
RIK
RIK
Name:3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
Formula:C17 H17 F N4 O3
SMILES:O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O3/c18-10-1-3-12-13(7-10)21-16-15(12)17(20-9-19-16)22-5-6-25-11(8-22)2-4-14(23)24/h1,3,7,9,11H,2,4-6,8H2,(H,23,24)(H,19,20,21)/t11-/m1/s1
Definition date:2022-06-23
Last modified:2022-07-01
Release date:2022-07-06
Identifier:3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
QTO
QTO
Name:(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:C18 H19 F N4 O2
SMILES:O=C(O)C1(F)CN(CC21CCC2)c1cc(Nc2ccccc2)ncn1
InChi:InChI=1S/C18H19FN4O2/c19-18(16(24)25)11-23(10-17(18)7-4-8-17)15-9-14(20-12-21-15)22-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11H2,(H,24,25)(H,20,21,22)/t18-/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
R9U
R9U
Name:(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide
Formula:C16 H16 F N5 O4 S
SMILES:CS(=O)(=O)NC(=O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H16FN5O4S/c1-27(24,25)21-16(23)12-7-22(4-5-26-12)15-13-10-3-2-9(17)6-11(10)20-14(13)18-8-19-15/h2-3,6,8,12H,4-5,7H2,1H3,(H,21,23)(H,18,19,20)/t12-/m1/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide
RA3
RA3
Name:[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
Formula:C17 H17 F N4 O4
SMILES:OCC1CN(CC(CC(=O)O)O1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O4/c18-9-1-2-12-13(3-9)21-16-15(12)17(20-8-19-16)22-5-10(4-14(24)25)26-11(6-22)7-23/h1-3,8,10-11,23H,4-7H2,(H,24,25)(H,19,20,21)/t10-,11-/m1/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
RBB
RBB
Name:[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:C18 H20 N4 O3
SMILES:OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3ccccc3c21
InChi:InChI=1S/C18H20N4O3/c1-18(2)9-22(8-11(25-18)7-14(23)24)17-15-12-5-3-4-6-13(12)21-16(15)19-10-20-17/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)(H,19,20,21)/t11-/m1/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
RBO
RBO
Name:[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:C16 H16 N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12
InChi:InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m1/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
RC3
RC3
Name:[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:C16 H16 N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3ccccc3c12
InChi:InChI=1S/C16H16N4O3/c21-13(22)7-10-8-20(5-6-23-10)16-14-11-3-1-2-4-12(11)19-15(14)17-9-18-16/h1-4,9-10H,5-8H2,(H,21,22)(H,17,18,19)/t10-/m0/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
QJG
QJG
Name:(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid
Formula:C15 H13 F N2 O4
SMILES:OC(=O)C1CC(C)N1C(=O)c1cc(O)nc2ccc(F)cc21
InChi:InChI=1S/C15H13FN2O4/c1-7-4-12(15(21)22)18(7)14(20)10-6-13(19)17-11-3-2-8(16)5-9(10)11/h2-3,5-7,12H,4H2,1H3,(H,17,19)(H,21,22)/t7-,12-/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid
QJO
QJO
Name:1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline
Formula:C9 H10 F2 N4 O4 S
SMILES:FC1(F)CC(C(=O)O)N(C1)S(=O)(=O)c1cnc(N)nc1
InChi:InChI=1S/C9H10F2N4O4S/c10-9(11)1-6(7(16)17)15(4-9)20(18,19)5-2-13-8(12)14-3-5/h2-3,6H,1,4H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline
QK6
QK6
Name:[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:C16 H15 F N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H15FN4O3/c17-9-1-2-11-12(5-9)20-15-14(11)16(19-8-18-15)21-3-4-24-10(7-21)6-13(22)23/h1-2,5,8,10H,3-4,6-7H2,(H,22,23)(H,18,19,20)/t10-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
RF0
RF0
Name:[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
Formula:C16 H17 F N4 O3
SMILES:COC1CN(CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H17FN4O3/c1-23-13-6-21(5-10(7-22)24-13)16-14-11-3-2-9(17)4-12(11)20-15(14)18-8-19-16/h2-4,8,10,13,22H,5-7H2,1H3,(H,18,19,20)/t10-,13-/m0/s1
Definition date:2022-06-22
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
R0L
R0L
Name:(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid
Formula:C15 H13 F N4 O3
SMILES:O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid
1RJ
1RJ
Name:4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
Formula:C18 H18 F N5 O
SMILES:Fc1cccc(c1)C(CNC)Nc1ncnc2c1cccc2C(N)=O
InChi:InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)/t15-/m1/s1
Definition date:2021-06-24
Last modified:2022-07-01
Release date:2022-07-06
Identifier:4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
1SK
1SK
Name:4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide
Formula:C21 H19 Cl F3 N5 O
SMILES:FC(F)(F)c1cc(ccc1Cl)C(Nc1ncnc2c1cccc2C(N)=O)CN1CCC1
InChi:InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1
Definition date:2021-06-24
Last modified:2022-07-01
Release date:2022-07-06
Identifier:4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide
F6I
F6I
Name:(4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C18 H15 F3 N6 O3 S
SMILES:O=C(Nc1nnn[NH]1)C1CN(Cc2ccccc12)S(=O)(=O)c1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-5-3-6-13(8-12)31(29,30)27-9-11-4-1-2-7-14(11)15(10-27)16(28)22-17-23-25-26-24-17/h1-8,15H,9-10H2,(H2,22,23,24,25,26,28)/t15-/m1/s1
Definition date:2021-12-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
G4R
G4R
Name:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
Formula:C27 H40 N6 O3
SMILES:CC(C)N1CCC(Nc2nc(NC(=O)C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:InChI=1S/C27H40N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h5,17-20H,1,6-16H2,2-4H3,(H2,28,29,30,31,34)
Definition date:2021-12-16
Last modified:2022-07-01
Release date:2022-07-06
Identifier:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide

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건을2024-08-07부터공개중

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