 | | WCV | | Name: | cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone | | Formula: | C20 H21 N5 O | | SMILES: | c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O | | InChi: | InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24) | | Definition date: | 2020-10-14 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone |
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 | | VYM | | Name: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone | | Formula: | C13 H16 N2 O | | SMILES: | C(C1CC1)(=O)N3CCCc2ccc(cc23)N | | InChi: | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
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 | | RJH | | Name: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea | | Formula: | C21 H25 Cl N6 O4 | | SMILES: | COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 | | InChi: | InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
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 | | L25 | | Name: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Formula: | C22 H27 N3 O6 S | | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4 | | InChi: | InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27) | | Definition date: | 2019-07-16 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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 | | ECR | | Name: | 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol | | Formula: | C12 H9 F N4 O | | SMILES: | Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1 | | InChi: | InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16) | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol |
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 | | ECU | | Name: | 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol | | Formula: | C12 H9 Br N4 O | | SMILES: | Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1 | | InChi: | InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16) | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol |
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 | | EC0 | | Name: | 7-chloranyl-5-nitro-quinolin-8-ol | | Formula: | C9 H5 Cl N2 O3 | | SMILES: | Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O | | InChi: | InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 7-chloranyl-5-nitro-quinolin-8-ol |
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 | | EC3 | | Name: | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one | | Formula: | C14 H13 Cl N2 O2 | | SMILES: | Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13 | | InChi: | InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2 | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one |
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 | | EC9 | | Name: | N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide | | Formula: | C16 H14 N4 O2 | | SMILES: | CC(=O)Nc1cc(Nc2ccccn2)c3cccc(O)c3n1 | | InChi: | InChI=1S/C16H14N4O2/c1-10(21)18-15-9-12(19-14-7-2-3-8-17-14)11-5-4-6-13(22)16(11)20-15/h2-9,22H,1H3,(H2,17,18,19,20,21) | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | ~{N}-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide |
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 | | ECF | | Name: | 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol | | Formula: | C12 H9 F N4 O | | SMILES: | Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1 | | InChi: | InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16) | | Definition date: | 2019-12-10 | | Last modified: | 2020-12-04 | | Release date: | 2020-12-09 | | Identifier: | 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol |
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 | | RMZ | | Name: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one | | Formula: | C22 H27 N3 O | | SMILES: | Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2 | | InChi: | InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1 | | Synonyms: | 3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one | | Definition date: | 2020-10-09 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one |
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 | | R9W | | Name: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine | | Formula: | C12 H16 N2 | | SMILES: | Nc1c2CCCCc2nc3CCCc13 | | InChi: | InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14) | | Definition date: | 2020-09-21 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine |
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 | | QY1 | | Name: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid | | Formula: | C23 H23 N O3 | | SMILES: | c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4 | | InChi: | InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 | | Definition date: | 2020-01-14 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid |
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 | | W4M | | Name: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol | | Formula: | C23 H27 N5 O3 S | | SMILES: | c2(cc1c(n(CC(SC)N(O)CO)nn1)cc2)C#Cc4ccc(CN3CCOCC3)cc4 | | InChi: | InChI=1S/C23H27N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,23,29-30H,10-13,15-17H2,1H3/t23-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol |
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 | | FJ0 | | Name: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide | | Formula: | C24 H25 N7 O5 | | SMILES: | Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6 | | InChi: | InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1 | | Definition date: | 2020-05-14 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | 2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide |
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 | | FJ9 | | Name: | N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide | | Formula: | C22 H19 N5 O3 | | SMILES: | O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5 | | InChi: | InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28) | | Definition date: | 2020-05-14 | | Last modified: | 2020-11-20 | | Release date: | 2020-11-25 | | Identifier: | ~{N}-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide |
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 | | TKY | | Name: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | | Formula: | C62 H79 F2 N9 O12 | | SMILES: | C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O | | InChi: | InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1 | | Definition date: | 2020-03-24 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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 | | TL7 | | Name: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | | Formula: | C58 H65 F2 N11 O8 | | SMILES: | c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O | | InChi: | InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1 | | Definition date: | 2020-03-25 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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 | | WJ4 | | Name: | 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine | | Formula: | C7 H10 Cl N3 O S | | SMILES: | n1c(c(Cl)sn1)CN2CCOCC2 | | InChi: | InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine |
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 | | WKM | | Name: | (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one | | Formula: | C9 H18 N2 O2 | | SMILES: | C1OCCN(C(C(C(C)C)N)=O)C1 | | InChi: | InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one |
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 | | WN4 | | Name: | N-(6-methylpyridin-2-yl)-L-prolinamide | | Formula: | C11 H15 N3 O | | SMILES: | C1(CCCN1)C(=O)Nc2cccc(C)n2 | | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | N-(6-methylpyridin-2-yl)-L-prolinamide |
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 | | Q6K | | Name: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | | Formula: | C28 H35 N7 O2 | | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | | Definition date: | 2020-05-25 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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 | | W4D | | Name: | 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one | | Formula: | C18 H14 N4 O | | SMILES: | c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4 | | InChi: | InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) | | Definition date: | 2020-09-27 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one |
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 | | W4G | | Name: | 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one | | Formula: | C18 H14 N4 O | | SMILES: | C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O | | InChi: | InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) | | Definition date: | 2020-09-28 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one |
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 | | R6H | | Name: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | | Formula: | C30 H26 F2 N4 O5 | | SMILES: | CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C | | InChi: | InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37) | | Definition date: | 2020-09-07 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide |
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