Natural Product: NPC276517

Natural Product ID:  NPC276517
Common Name:   1-Carboxy-6-Hydroxy-3,4-Dihydro-Beta-Carboline
IUPAC Name:   6-hydroxy-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid
Synonyms:  
Molecular Formula:   C12H10N2O3
Standard InCHIKey:  PIRBJYLBALJJOK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17)
Canonical SMILES:  Oc1ccc2c(c1)c1CCN=C(c1[nH]2)C(=O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33161 hyrtios sp. Species Thorectidae Eukaryota PMID[19167886]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 = 290000 nM 19105653
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 = 67 ug/ml 24273638
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 87 ug/ml 24893224
NPT20 Organism Candida albicans Candida albicans MIC > 868700 nM 18565749
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 380000 nM PubChem BioAssay data set
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 379600 nM 15109666

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC276517 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8967 High Similarity NPC213308
0.8962 High Similarity NPC306376
0.8925 High Similarity NPC476098
0.8865 High Similarity NPC315491
0.8865 High Similarity NPC45459
0.8711 High Similarity NPC469928
0.8703 High Similarity NPC156704
0.8596 High Similarity NPC72980
0.8586 High Similarity NPC88008
0.8586 High Similarity NPC270918
0.8492 Intermediate Similarity NPC88363
0.8462 Intermediate Similarity NPC314002
0.8453 Intermediate Similarity NPC220765
0.8407 Intermediate Similarity NPC204717
0.8352 Intermediate Similarity NPC176127
0.8315 Intermediate Similarity NPC171171
0.83 Intermediate Similarity NPC74360
0.8299 Intermediate Similarity NPC321428
0.8289 Intermediate Similarity NPC99666
0.8274 Intermediate Similarity NPC219087
0.8268 Intermediate Similarity NPC474409
0.8256 Intermediate Similarity NPC171787
0.8241 Intermediate Similarity NPC330009
0.8232 Intermediate Similarity NPC184964
0.8223 Intermediate Similarity NPC294375
0.8214 Intermediate Similarity NPC325297
0.8177 Intermediate Similarity NPC249040
0.8172 Intermediate Similarity NPC46580
0.8163 Intermediate Similarity NPC39679
0.8161 Intermediate Similarity NPC141353
0.8159 Intermediate Similarity NPC96321
0.8154 Intermediate Similarity NPC300156
0.815 Intermediate Similarity NPC74969
0.8131 Intermediate Similarity NPC9894
0.8128 Intermediate Similarity NPC246700
0.8128 Intermediate Similarity NPC128751
0.8115 Intermediate Similarity NPC77555
0.81 Intermediate Similarity NPC118228
0.8085 Intermediate Similarity NPC469497
0.8085 Intermediate Similarity NPC106833
0.8081 Intermediate Similarity NPC309845
0.8079 Intermediate Similarity NPC276657
0.8051 Intermediate Similarity NPC134848
0.8021 Intermediate Similarity NPC153042
0.802 Intermediate Similarity NPC283117
0.799 Intermediate Similarity NPC471304
0.7969 Intermediate Similarity NPC242209
0.7957 Intermediate Similarity NPC212535
0.7952 Intermediate Similarity NPC475720
0.7952 Intermediate Similarity NPC474192
0.795 Intermediate Similarity NPC87413
0.7937 Intermediate Similarity NPC221873
0.7935 Intermediate Similarity NPC111275
0.7929 Intermediate Similarity NPC183777
0.7927 Intermediate Similarity NPC90229
0.7923 Intermediate Similarity NPC303225
0.7917 Intermediate Similarity NPC326634
0.7914 Intermediate Similarity NPC84478
0.79 Intermediate Similarity NPC5145
0.7892 Intermediate Similarity NPC184408
0.7892 Intermediate Similarity NPC264285
0.7889 Intermediate Similarity NPC86834
0.7889 Intermediate Similarity NPC210828
0.7887 Intermediate Similarity NPC15801
0.7884 Intermediate Similarity NPC278434
0.7882 Intermediate Similarity NPC3207
0.7879 Intermediate Similarity NPC45190
0.7876 Intermediate Similarity NPC251090
0.7872 Intermediate Similarity NPC94943
0.7865 Intermediate Similarity NPC307963
0.785 Intermediate Similarity NPC476116
0.7846 Intermediate Similarity NPC280714
0.784 Intermediate Similarity NPC477549
0.7839 Intermediate Similarity NPC53344
0.7838 Intermediate Similarity NPC183662
0.7838 Intermediate Similarity NPC15573
0.7838 Intermediate Similarity NPC217372
0.7835 Intermediate Similarity NPC141454
0.7828 Intermediate Similarity NPC475070
0.7822 Intermediate Similarity NPC12344
0.7819 Intermediate Similarity NPC190007
0.7817 Intermediate Similarity NPC199277
0.7817 Intermediate Similarity NPC135887
0.781 Intermediate Similarity NPC311906
0.7802 Intermediate Similarity NPC78020
0.7799 Intermediate Similarity NPC214142
0.7799 Intermediate Similarity NPC319232
0.7799 Intermediate Similarity NPC24370
0.7796 Intermediate Similarity NPC219336
0.7788 Intermediate Similarity NPC51388
0.7783 Intermediate Similarity NPC207686
0.7778 Intermediate Similarity NPC223427
0.7778 Intermediate Similarity NPC165599
0.7778 Intermediate Similarity NPC60621
0.7772 Intermediate Similarity NPC23294
0.7766 Intermediate Similarity NPC471944
0.7762 Intermediate Similarity NPC304307
0.7762 Intermediate Similarity NPC118559
0.7762 Intermediate Similarity NPC261251
0.7762 Intermediate Similarity NPC34580
0.7762 Intermediate Similarity NPC124920
0.775 Intermediate Similarity NPC244741
0.775 Intermediate Similarity NPC4687
0.7749 Intermediate Similarity NPC32771
0.7749 Intermediate Similarity NPC296527
0.7742 Intermediate Similarity NPC96890
0.774 Intermediate Similarity NPC220851
0.7737 Intermediate Similarity NPC315555
0.7731 Intermediate Similarity NPC475816
0.773 Intermediate Similarity NPC203468
0.773 Intermediate Similarity NPC110500
0.773 Intermediate Similarity NPC149155
0.7727 Intermediate Similarity NPC211813
0.7725 Intermediate Similarity NPC100547
0.7723 Intermediate Similarity NPC303951
0.7718 Intermediate Similarity NPC303658
0.7718 Intermediate Similarity NPC473041
0.7717 Intermediate Similarity NPC178858
0.7708 Intermediate Similarity NPC83111
0.7708 Intermediate Similarity NPC76748
0.7708 Intermediate Similarity NPC314333
0.7704 Intermediate Similarity NPC192315
0.7701 Intermediate Similarity NPC55772
0.7696 Intermediate Similarity NPC39500
0.7692 Intermediate Similarity NPC280799
0.7689 Intermediate Similarity NPC223409
0.7689 Intermediate Similarity NPC95240
0.7689 Intermediate Similarity NPC322135
0.7688 Intermediate Similarity NPC267885
0.7685 Intermediate Similarity NPC82472
0.7678 Intermediate Similarity NPC157931
0.767 Intermediate Similarity NPC293151
0.7668 Intermediate Similarity NPC92111
0.7665 Intermediate Similarity NPC476167
0.7665 Intermediate Similarity NPC241024
0.7662 Intermediate Similarity NPC193777
0.7656 Intermediate Similarity NPC16352
0.7654 Intermediate Similarity NPC285469
0.7653 Intermediate Similarity NPC14288
0.7644 Intermediate Similarity NPC194040
0.7644 Intermediate Similarity NPC160381
0.7644 Intermediate Similarity NPC472099
0.7644 Intermediate Similarity NPC174760
0.7641 Intermediate Similarity NPC131017
0.7629 Intermediate Similarity NPC55493
0.7628 Intermediate Similarity NPC97902
0.7624 Intermediate Similarity NPC131718
0.7622 Intermediate Similarity NPC6982
0.7621 Intermediate Similarity NPC148183
0.7621 Intermediate Similarity NPC152768
0.7619 Intermediate Similarity NPC314394
0.7617 Intermediate Similarity NPC54803
0.7617 Intermediate Similarity NPC321592
0.7617 Intermediate Similarity NPC144381
0.7606 Intermediate Similarity NPC283219
0.7606 Intermediate Similarity NPC126709
0.7606 Intermediate Similarity NPC248041
0.7602 Intermediate Similarity NPC222018
0.759 Intermediate Similarity NPC45850
0.7585 Intermediate Similarity NPC469727
0.7583 Intermediate Similarity NPC179287
0.7581 Intermediate Similarity NPC284888
0.7581 Intermediate Similarity NPC323198
0.7581 Intermediate Similarity NPC323752
0.758 Intermediate Similarity NPC295452
0.758 Intermediate Similarity NPC171393
0.7576 Intermediate Similarity NPC128823
0.757 Intermediate Similarity NPC474701
0.7563 Intermediate Similarity NPC243834
0.7563 Intermediate Similarity NPC70956
0.7561 Intermediate Similarity NPC472098
0.7561 Intermediate Similarity NPC48353
0.7561 Intermediate Similarity NPC316981
0.7552 Intermediate Similarity NPC62749
0.7551 Intermediate Similarity NPC202812
0.7549 Intermediate Similarity NPC234999
0.7548 Intermediate Similarity NPC46561
0.7548 Intermediate Similarity NPC247803
0.7546 Intermediate Similarity NPC182222
0.7546 Intermediate Similarity NPC245055
0.7546 Intermediate Similarity NPC33064
0.7538 Intermediate Similarity NPC329793
0.7538 Intermediate Similarity NPC176538
0.7526 Intermediate Similarity NPC329858
0.7526 Intermediate Similarity NPC71037
0.7524 Intermediate Similarity NPC316181
0.7524 Intermediate Similarity NPC151781
0.7524 Intermediate Similarity NPC477610
0.7524 Intermediate Similarity NPC473317
0.7524 Intermediate Similarity NPC266931
0.7524 Intermediate Similarity NPC89508
0.7524 Intermediate Similarity NPC74562
0.7513 Intermediate Similarity NPC472443
0.7512 Intermediate Similarity NPC478078
0.7512 Intermediate Similarity NPC82370
0.75 Intermediate Similarity NPC473105
0.75 Intermediate Similarity NPC27041
0.75 Intermediate Similarity NPC106937
0.75 Intermediate Similarity NPC230403
0.7488 Intermediate Similarity NPC116238

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC276517 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8865 High Similarity NPD484 Approved
0.8342 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2844 Phase 3
0.7968 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD1038 Approved
0.7828 Intermediate Similarity NPD5901 Discontinued
0.78 Intermediate Similarity NPD2916 Discontinued
0.7744 Intermediate Similarity NPD5003 Discontinued
0.773 Intermediate Similarity NPD482 Approved
0.7729 Intermediate Similarity NPD6242 Discontinued
0.7708 Intermediate Similarity NPD4499 Approved
0.7696 Intermediate Similarity NPD4948 Discontinued
0.7688 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7678 Intermediate Similarity NPD4845 Discontinued
0.7663 Intermediate Similarity NPD1325 Approved
0.7663 Intermediate Similarity NPD1326 Approved
0.7653 Intermediate Similarity NPD7948 Phase 1
0.7617 Intermediate Similarity NPD2564 Approved
0.7617 Intermediate Similarity NPD2565 Phase 2
0.7588 Intermediate Similarity NPD4511 Phase 1
0.7579 Intermediate Similarity NPD2092 Phase 2
0.7579 Intermediate Similarity NPD2095 Phase 2
0.7579 Intermediate Similarity NPD2094 Phase 2
0.7576 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD4897 Phase 2
0.7551 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD4418 Discontinued
0.7548 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7539 Intermediate Similarity NPD2096 Phase 2
0.7539 Intermediate Similarity NPD2091 Phase 2
0.7536 Intermediate Similarity NPD5612 Discontinued
0.7512 Intermediate Similarity NPD5416 Discontinued
0.75 Intermediate Similarity NPD802 Phase 2
0.7487 Intermediate Similarity NPD8395 Approved
0.7487 Intermediate Similarity NPD8396 Approved
0.7465 Intermediate Similarity NPD7603 Discontinued
0.7464 Intermediate Similarity NPD5632 Approved
0.7452 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD5658 Approved
0.744 Intermediate Similarity NPD3243 Approved
0.7419 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7404 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD2177 Approved
0.74 Intermediate Similarity NPD3814 Phase 1
0.74 Intermediate Similarity NPD2175 Phase 3
0.74 Intermediate Similarity NPD2176 Approved
0.7396 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD750 Phase 2
0.7389 Intermediate Similarity NPD6138 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD1534 Approved
0.7381 Intermediate Similarity NPD3354 Phase 2
0.7366 Intermediate Similarity NPD6376 Discontinued
0.7358 Intermediate Similarity NPD5507 Approved
0.7358 Intermediate Similarity NPD5506 Approved
0.7354 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD3258 Approved
0.7337 Intermediate Similarity NPD5512 Phase 3
0.733 Intermediate Similarity NPD1592 Phase 3
0.7304 Intermediate Similarity NPD2721 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD8358 Approved
0.7277 Intermediate Similarity NPD4601 Approved
0.7277 Intermediate Similarity NPD4600 Approved
0.7277 Intermediate Similarity NPD6159 Phase 2
0.7268 Intermediate Similarity NPD3003 Approved
0.7268 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD5140 Approved
0.7258 Intermediate Similarity NPD5138 Approved
0.7255 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD2920 Discontinued
0.7245 Intermediate Similarity NPD2383 Phase 1
0.7245 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD3257 Approved
0.7233 Intermediate Similarity NPD7453 Approved
0.7233 Intermediate Similarity NPD7452 Approved
0.7233 Intermediate Similarity NPD7222 Phase 2
0.7231 Intermediate Similarity NPD2762 Phase 2
0.7228 Intermediate Similarity NPD1768 Approved
0.7202 Intermediate Similarity NPD6452 Discontinued
0.7202 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD2509 Approved
0.7198 Intermediate Similarity NPD2510 Approved
0.7192 Intermediate Similarity NPD4500 Approved
0.7192 Intermediate Similarity NPD4501 Approved
0.7184 Intermediate Similarity NPD2715 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD53 Approved
0.7178 Intermediate Similarity NPD7778 Approved
0.7178 Intermediate Similarity NPD7777 Approved
0.7177 Intermediate Similarity NPD7470 Discontinued
0.7175 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD5065 Approved
0.715 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8098 Approved
0.7136 Intermediate Similarity NPD6630 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD3746 Discontinued
0.7136 Intermediate Similarity NPD4885 Approved
0.7128 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5257 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD2187 Approved
0.7115 Intermediate Similarity NPD2189 Approved
0.7112 Intermediate Similarity NPD1684 Approved
0.7112 Intermediate Similarity NPD1685 Approved
0.7109 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD5939 Approved
0.7095 Intermediate Similarity NPD5936 Approved
0.7094 Intermediate Similarity NPD7946 Pre-registration
0.709 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD5164 Discontinued
0.7087 Intermediate Similarity NPD6176 Phase 1
0.7083 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD3178 Discontinued
0.7075 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD5429 Discontinued
0.7067 Intermediate Similarity NPD6290 Phase 2
0.7067 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8096 Phase 3
0.7062 Intermediate Similarity NPD8097 Phase 3
0.7059 Intermediate Similarity NPD8363 Approved
0.7059 Intermediate Similarity NPD8364 Approved
0.7059 Intermediate Similarity NPD3825 Phase 3
0.7056 Intermediate Similarity NPD7395 Discontinued
0.7053 Intermediate Similarity NPD5426 Phase 3
0.7049 Intermediate Similarity NPD4463 Approved
0.7049 Intermediate Similarity NPD4462 Approved
0.7048 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3394 Approved
0.7042 Intermediate Similarity NPD3389 Approved
0.7042 Intermediate Similarity NPD3393 Approved
0.704 Intermediate Similarity NPD3006 Discontinued
0.7032 Intermediate Similarity NPD4328 Approved
0.7027 Intermediate Similarity NPD4373 Phase 2
0.7021 Intermediate Similarity NPD972 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6158 Phase 2
0.701 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4506 Discontinued
0.6995 Remote Similarity NPD5902 Approved
0.6995 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6995 Remote Similarity NPD9690 Approved
0.6995 Remote Similarity NPD5903 Approved
0.699 Remote Similarity NPD4204 Approved
0.699 Remote Similarity NPD4203 Approved
0.6989 Remote Similarity NPD276 Clinical (unspecified phase)
0.6986 Remote Similarity NPD1392 Approved
0.6982 Remote Similarity NPD7797 Approved
0.6982 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7796 Approved
0.6981 Remote Similarity NPD8093 Discontinued
0.698 Remote Similarity NPD9695 Approved
0.6977 Remote Similarity NPD7878 Phase 2
0.6977 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6976 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6971 Remote Similarity NPD4795 Phase 2
0.6968 Remote Similarity NPD9705 Discontinued
0.6968 Remote Similarity NPD112 Approved
0.6968 Remote Similarity NPD4952 Phase 3
0.6968 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6965 Remote Similarity NPD5913 Phase 3
0.6965 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6965 Remote Similarity NPD5912 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8073 Approved
0.6955 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6955 Remote Similarity NPD3259 Approved
0.6954 Remote Similarity NPD5596 Phase 2
0.6948 Remote Similarity NPD8094 Discontinued
0.6942 Remote Similarity NPD1739 Approved
0.6942 Remote Similarity NPD1740 Approved
0.6939 Remote Similarity NPD8464 Clinical (unspecified phase)
0.6938 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6934 Remote Similarity NPD4502 Phase 2
0.6927 Remote Similarity NPD1573 Approved
0.6927 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6927 Remote Similarity NPD1575 Approved
0.6926 Remote Similarity NPD5482 Discontinued
0.6901 Remote Similarity NPD3330 Phase 1
0.6901 Remote Similarity NPD2794 Discontinued
0.6895 Remote Similarity NPD1631 Approved
0.6887 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6886 Remote Similarity NPD6517 Phase 3
0.6884 Remote Similarity NPD7112 Discontinued
0.6872 Remote Similarity NPD2380 Approved
0.6872 Remote Similarity NPD2382 Approved
0.6872 Remote Similarity NPD2381 Approved
0.6872 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6863 Remote Similarity NPD3810 Clinical (unspecified phase)
0.686 Remote Similarity NPD5497 Clinical (unspecified phase)
0.6853 Remote Similarity NPD5898 Approved
0.6853 Remote Similarity NPD5897 Approved
0.6853 Remote Similarity NPD5445 Approved
0.6853 Remote Similarity NPD5899 Approved
0.6853 Remote Similarity NPD3986 Discontinued
0.6847 Remote Similarity NPD5559 Phase 2
0.6847 Remote Similarity NPD5937 Approved
0.6845 Remote Similarity NPD4397 Phase 1
0.6842 Remote Similarity NPD8072 Approved

Structure

External Identifiers

PubChem CID   44590550
ChEMBL   CHEMBL461889
ZINC  

Physicochemical Properties

Molecular Weight:  230.07
ALogP:  -1.1831
MLogP:  2.23
XLogP:  1.029
# Rotatable Bonds:  3
Polar Surface Area:  85.68
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  17

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Biological Activities  
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