Natural Product: NPC46359

Natural Product ID:  NPC46359
Common Name:   Urobilin
IUPAC Name:   3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid
Synonyms:  
Molecular Formula:   C33H42N4O6
Standard InCHIKey:  KDCCOOGTVSRCHX-UYMYUHGCSA-N
Standard InCHI:  InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1
Canonical SMILES:  CCC1=C(C)[C@@H](N=C1O)CC1=N/C(=Cc2[nH]c(c(c2CCC(=O)O)C)C[C@@H]2N=C(C(=C2CC)C)O)/C(=C1C)CCC(=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
NPO1797 Homo sapiens Species Hominidae Eukaryota HerDing*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 48 % 24156291
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 79 % 24156291
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 42 % 24156291

  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 NPC46359 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
0.9675 High Similarity NPC326479
0.9481 High Similarity NPC26491
0.9245 High Similarity NPC287795
0.7581 Intermediate Similarity NPC195457
0.7472 Intermediate Similarity NPC219336
0.7416 Intermediate Similarity NPC183662
0.7416 Intermediate Similarity NPC217372
0.7416 Intermediate Similarity NPC15573
0.736 Intermediate Similarity NPC267885
0.7322 Intermediate Similarity NPC235684
0.7303 Intermediate Similarity NPC203468
0.7303 Intermediate Similarity NPC110500
0.7303 Intermediate Similarity NPC149155
0.7278 Intermediate Similarity NPC126709
0.7278 Intermediate Similarity NPC248041
0.7278 Intermediate Similarity NPC283219
0.7273 Intermediate Similarity NPC78020
0.7245 Intermediate Similarity NPC187255
0.7243 Intermediate Similarity NPC321708
0.7243 Intermediate Similarity NPC175474
0.7238 Intermediate Similarity NPC469896
0.7236 Intermediate Similarity NPC85702
0.7127 Intermediate Similarity NPC14113
0.7127 Intermediate Similarity NPC111275
0.7127 Intermediate Similarity NPC145885
0.7127 Intermediate Similarity NPC84827
0.712 Intermediate Similarity NPC306376
0.711 Intermediate Similarity NPC285469
0.7092 Intermediate Similarity NPC257175
0.7088 Intermediate Similarity NPC55772
0.7085 Intermediate Similarity NPC473493
0.7059 Intermediate Similarity NPC196251
0.7059 Intermediate Similarity NPC63199
0.7059 Intermediate Similarity NPC111602
0.7059 Intermediate Similarity NPC102338
0.7049 Intermediate Similarity NPC91179
0.7031 Intermediate Similarity NPC131887
0.7031 Intermediate Similarity NPC52557
0.7022 Intermediate Similarity NPC160105
0.702 Intermediate Similarity NPC469743
0.7006 Intermediate Similarity NPC476118
0.6995 Remote Similarity NPC213468
0.699 Remote Similarity NPC473376
0.6974 Remote Similarity NPC476874
0.6961 Remote Similarity NPC314603
0.6959 Remote Similarity NPC49196
0.6959 Remote Similarity NPC313985
0.6959 Remote Similarity NPC195461
0.6959 Remote Similarity NPC79129
0.6959 Remote Similarity NPC81654
0.6959 Remote Similarity NPC249150
0.6954 Remote Similarity NPC207726
0.6952 Remote Similarity NPC62749
0.6949 Remote Similarity NPC16667
0.6943 Remote Similarity NPC50503
0.6943 Remote Similarity NPC171317
0.6939 Remote Similarity NPC476098
0.6935 Remote Similarity NPC478158
0.6935 Remote Similarity NPC271862
0.6932 Remote Similarity NPC67056
0.6931 Remote Similarity NPC329858
0.6931 Remote Similarity NPC314333
0.6907 Remote Similarity NPC241024
0.6906 Remote Similarity NPC6982
0.6905 Remote Similarity NPC268676
0.6905 Remote Similarity NPC27324
0.6897 Remote Similarity NPC74969
0.6891 Remote Similarity NPC141454
0.6878 Remote Similarity NPC213629
0.6875 Remote Similarity NPC276517
0.6875 Remote Similarity NPC19692
0.6875 Remote Similarity NPC220151
0.6866 Remote Similarity NPC82370
0.6862 Remote Similarity NPC315555
0.6859 Remote Similarity NPC55493
0.6856 Remote Similarity NPC67288
0.6851 Remote Similarity NPC280548
0.6842 Remote Similarity NPC83111
0.6839 Remote Similarity NPC11445
0.6825 Remote Similarity NPC472323
0.6823 Remote Similarity NPC247735
0.6823 Remote Similarity NPC269886
0.6823 Remote Similarity NPC472210
0.6823 Remote Similarity NPC472295
0.6823 Remote Similarity NPC81802
0.6821 Remote Similarity NPC293917
0.6821 Remote Similarity NPC37548
0.6811 Remote Similarity NPC472443
0.6804 Remote Similarity NPC262898
0.6802 Remote Similarity NPC137589
0.68 Remote Similarity NPC127677
0.68 Remote Similarity NPC258062
0.6791 Remote Similarity NPC472444
0.6788 Remote Similarity NPC202812
0.6788 Remote Similarity NPC195239
0.6788 Remote Similarity NPC157828
0.6786 Remote Similarity NPC45459
0.6786 Remote Similarity NPC213308
0.6786 Remote Similarity NPC315491
0.6778 Remote Similarity NPC470508
0.6777 Remote Similarity NPC33949
0.6776 Remote Similarity NPC475619
0.6772 Remote Similarity NPC160381
0.6768 Remote Similarity NPC98715
0.6765 Remote Similarity NPC478157
0.6761 Remote Similarity NPC212376
0.6761 Remote Similarity NPC211572
0.6761 Remote Similarity NPC80597
0.6761 Remote Similarity NPC70922
0.6761 Remote Similarity NPC75540
0.6754 Remote Similarity NPC472112
0.6753 Remote Similarity NPC179701
0.6753 Remote Similarity NPC245916
0.6751 Remote Similarity NPC300183
0.675 Remote Similarity NPC477065
0.675 Remote Similarity NPC225821
0.675 Remote Similarity NPC54420
0.675 Remote Similarity NPC46225
0.6749 Remote Similarity NPC207020
0.6749 Remote Similarity NPC151976
0.6749 Remote Similarity NPC87856
0.674 Remote Similarity NPC474561
0.674 Remote Similarity NPC49954
0.6738 Remote Similarity NPC71037
0.6732 Remote Similarity NPC330009
0.6732 Remote Similarity NPC132211
0.6732 Remote Similarity NPC203614
0.6732 Remote Similarity NPC204491
0.6732 Remote Similarity NPC469928
0.6731 Remote Similarity NPC2395
0.6724 Remote Similarity NPC187951
0.6723 Remote Similarity NPC141353
0.672 Remote Similarity NPC280290
0.6718 Remote Similarity NPC227582
0.6717 Remote Similarity NPC193761
0.6717 Remote Similarity NPC476073
0.6717 Remote Similarity NPC162730
0.6717 Remote Similarity NPC474116
0.6716 Remote Similarity NPC229348
0.6716 Remote Similarity NPC267965
0.6716 Remote Similarity NPC54744
0.6714 Remote Similarity NPC235885
0.6705 Remote Similarity NPC73952
0.6705 Remote Similarity NPC469760
0.6705 Remote Similarity NPC259644
0.6705 Remote Similarity NPC469765
0.6705 Remote Similarity NPC469763
0.6705 Remote Similarity NPC25008
0.6705 Remote Similarity NPC469786
0.6701 Remote Similarity NPC474121
0.6701 Remote Similarity NPC252338
0.6701 Remote Similarity NPC294909
0.6701 Remote Similarity NPC199851
0.6701 Remote Similarity NPC128265
0.6701 Remote Similarity NPC254240
0.6701 Remote Similarity NPC312870
0.6685 Remote Similarity NPC34508
0.6684 Remote Similarity NPC15840
0.6684 Remote Similarity NPC472113
0.6684 Remote Similarity NPC472292
0.6683 Remote Similarity NPC162860
0.6683 Remote Similarity NPC165599
0.6667 Remote Similarity NPC75634
0.6667 Remote Similarity NPC38736
0.6667 Remote Similarity NPC470507
0.6667 Remote Similarity NPC472119
0.6667 Remote Similarity NPC282231
0.6667 Remote Similarity NPC472293
0.6651 Remote Similarity NPC469720
0.665 Remote Similarity NPC476114
0.6649 Remote Similarity NPC472586
0.6649 Remote Similarity NPC17059
0.6649 Remote Similarity NPC45850
0.6633 Remote Similarity NPC156704
0.6632 Remote Similarity NPC243716
0.6631 Remote Similarity NPC270009
0.663 Remote Similarity NPC271797
0.663 Remote Similarity NPC21174
0.663 Remote Similarity NPC194640
0.6616 Remote Similarity NPC214428
0.6615 Remote Similarity NPC46413
0.6615 Remote Similarity NPC209917
0.6612 Remote Similarity NPC63751
0.6611 Remote Similarity NPC279918
0.6604 Remote Similarity NPC319232
0.6604 Remote Similarity NPC24370
0.6604 Remote Similarity NPC214142
0.6601 Remote Similarity NPC107077
0.6601 Remote Similarity NPC284102
0.6601 Remote Similarity NPC223791
0.6599 Remote Similarity NPC102008
0.6599 Remote Similarity NPC473640
0.6597 Remote Similarity NPC94752
0.6595 Remote Similarity NPC161861
0.6595 Remote Similarity NPC472123
0.6592 Remote Similarity NPC212742
0.6592 Remote Similarity NPC469762
0.6591 Remote Similarity NPC24678
0.6591 Remote Similarity NPC105818
0.659 Remote Similarity NPC242556

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC46359 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
0.865 High Similarity NPD7866 Approved
0.8563 High Similarity NPD7865 Approved
0.8476 Intermediate Similarity NPD7864 Approved
0.8364 Intermediate Similarity NPD7863 Approved
0.8204 Intermediate Similarity NPD2844 Phase 3
0.8167 Intermediate Similarity NPD7946 Pre-registration
0.8086 Intermediate Similarity NPD7882 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD8098 Approved
0.7708 Intermediate Similarity NPD8097 Phase 3
0.7708 Intermediate Similarity NPD8096 Phase 3
0.7619 Intermediate Similarity NPD8282 Approved
0.7619 Intermediate Similarity NPD8283 Approved
0.7619 Intermediate Similarity NPD56 Approved
0.7592 Intermediate Similarity NPD8399 Phase 1
0.7592 Intermediate Similarity NPD8423 Phase 2
0.7412 Intermediate Similarity NPD276 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD2092 Phase 2
0.7348 Intermediate Similarity NPD2095 Phase 2
0.7348 Intermediate Similarity NPD2094 Phase 2
0.7318 Intermediate Similarity NPD7869 Discontinued
0.7308 Intermediate Similarity NPD2091 Phase 2
0.7308 Intermediate Similarity NPD2096 Phase 2
0.7303 Intermediate Similarity NPD482 Approved
0.7263 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD8160 Phase 2
0.7198 Intermediate Similarity NPD3178 Discontinued
0.7107 Intermediate Similarity NPD7941 Phase 3
0.7056 Intermediate Similarity NPD750 Phase 2
0.7049 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5140 Approved
0.7006 Intermediate Similarity NPD5138 Approved
0.6964 Remote Similarity NPD1592 Phase 3
0.6959 Remote Similarity NPD4600 Approved
0.6959 Remote Similarity NPD4601 Approved
0.6954 Remote Similarity NPD5257 Clinical (unspecified phase)
0.695 Remote Similarity NPD7470 Discontinued
0.6931 Remote Similarity NPD4499 Approved
0.6904 Remote Similarity NPD5901 Discontinued
0.69 Remote Similarity NPD7825 Clinical (unspecified phase)
0.6895 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6866 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6851 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6851 Remote Similarity NPD1326 Approved
0.6851 Remote Similarity NPD1325 Approved
0.6821 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6786 Remote Similarity NPD484 Approved
0.6771 Remote Similarity NPD6665 Discontinued
0.6739 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6735 Remote Similarity NPD8396 Approved
0.6735 Remote Similarity NPD8395 Approved
0.6734 Remote Similarity NPD5426 Phase 3
0.6733 Remote Similarity NPD7998 Clinical (unspecified phase)
0.672 Remote Similarity NPD8386 Phase 2
0.6719 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6718 Remote Similarity NPD5003 Discontinued
0.6717 Remote Similarity NPD8073 Approved
0.6702 Remote Similarity NPD1534 Approved
0.6702 Remote Similarity NPD5596 Phase 2
0.6701 Remote Similarity NPD4501 Approved
0.6701 Remote Similarity NPD4500 Approved
0.67 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6683 Remote Similarity NPD8072 Approved
0.6667 Remote Similarity NPD2564 Approved
0.6667 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2565 Phase 2
0.665 Remote Similarity NPD6999 Discontinued
0.665 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6649 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6649 Remote Similarity NPD4948 Discontinued
0.6634 Remote Similarity NPD7665 Phase 2
0.6634 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6634 Remote Similarity NPD7666 Phase 3
0.6617 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6617 Remote Similarity NPD7957 Phase 1
0.6602 Remote Similarity NPD8112 Clinical (unspecified phase)
0.6599 Remote Similarity NPD7778 Approved
0.6599 Remote Similarity NPD7777 Approved
0.6599 Remote Similarity NPD53 Approved
0.6596 Remote Similarity NPD6595 Phase 3
0.6591 Remote Similarity NPD4463 Approved
0.6591 Remote Similarity NPD4462 Approved
0.6584 Remote Similarity NPD8493 Clinical (unspecified phase)
0.657 Remote Similarity NPD5020 Approved
0.6562 Remote Similarity NPD8431 Approved
0.6557 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6528 Remote Similarity NPD8110 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7971 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7970 Approved
0.6508 Remote Similarity NPD5897 Approved
0.6508 Remote Similarity NPD5898 Approved
0.6508 Remote Similarity NPD5899 Approved
0.6507 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6502 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6491 Remote Similarity NPD8062 Discontinued
0.6489 Remote Similarity NPD2144 Approved
0.6488 Remote Similarity NPD7809 Clinical (unspecified phase)
0.6485 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6477 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6474 Remote Similarity NPD3834 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5065 Approved
0.6465 Remote Similarity NPD7948 Phase 1
0.6464 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6464 Remote Similarity NPD2214 Approved
0.6464 Remote Similarity NPD2213 Approved
0.6458 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6453 Remote Similarity NPD7001 Phase 3
0.6453 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6448 Remote Similarity NPD1631 Approved
0.6447 Remote Similarity NPD4602 Approved
0.6447 Remote Similarity NPD4427 Phase 2
0.6436 Remote Similarity NPD5471 Phase 3
0.6432 Remote Similarity NPD4397 Phase 1
0.6429 Remote Similarity NPD7878 Phase 2
0.6425 Remote Similarity NPD4852 Phase 2
0.6422 Remote Similarity NPD8322 Phase 2
0.6421 Remote Similarity NPD6452 Discontinued
0.6419 Remote Similarity NPD6164 Phase 2
0.6419 Remote Similarity NPD6165 Phase 2
0.6418 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6404 Remote Similarity NPD8272 Phase 2
0.6404 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6402 Remote Similarity NPD6642 Approved
0.6402 Remote Similarity NPD6641 Approved
0.6398 Remote Similarity NPD1573 Approved
0.6398 Remote Similarity NPD1575 Approved
0.639 Remote Similarity NPD6376 Discontinued
0.6387 Remote Similarity NPD3038 Discontinued
0.6386 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7618 Phase 3
0.6364 Remote Similarity NPD7944 Discontinued
0.6364 Remote Similarity NPD7619 Phase 3
0.6355 Remote Similarity NPD2920 Discontinued
0.6346 Remote Similarity NPD8093 Discontinued
0.6335 Remote Similarity NPD1643 Phase 3
0.6324 Remote Similarity NPD3947 Discontinued
0.6316 Remote Similarity NPD8094 Discontinued
0.6311 Remote Similarity NPD2916 Discontinued
0.6308 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6303 Remote Similarity NPD8406 Clinical (unspecified phase)
0.6302 Remote Similarity NPD4383 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2896 Discontinued
0.63 Remote Similarity NPD6664 Approved
0.6293 Remote Similarity NPD8403 Phase 1
0.6287 Remote Similarity NPD2911 Approved
0.6287 Remote Similarity NPD2912 Approved
0.6284 Remote Similarity NPD1630 Approved
0.6281 Remote Similarity NPD5975 Clinical (unspecified phase)
0.628 Remote Similarity NPD4506 Discontinued
0.6277 Remote Similarity NPD5472 Clinical (unspecified phase)
0.6276 Remote Similarity NPD7233 Approved
0.6276 Remote Similarity NPD7234 Approved
0.627 Remote Similarity NPD5088 Discontinued
0.6269 Remote Similarity NPD2947 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6292 Clinical (unspecified phase)
0.625 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6244 Remote Similarity NPD6770 Approved
0.6244 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6238 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6237 Remote Similarity NPD6178 Phase 3
0.6237 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6232 Remote Similarity NPD7232 Discontinued
0.6232 Remote Similarity NPD2509 Approved
0.6232 Remote Similarity NPD2510 Approved
0.623 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5818 Discontinued
0.6222 Remote Similarity NPD3835 Phase 3
0.6222 Remote Similarity NPD3833 Phase 3
0.6221 Remote Similarity NPD7711 Discontinued
0.6203 Remote Similarity NPD5611 Phase 2
0.62 Remote Similarity NPD8641 Approved
0.6199 Remote Similarity NPD7791 Approved
0.6199 Remote Similarity NPD7952 Approved
0.6199 Remote Similarity NPD7951 Approved
0.6199 Remote Similarity NPD7789 Approved
0.6199 Remote Similarity NPD7790 Approved
0.6199 Remote Similarity NPD7950 Approved
0.6199 Remote Similarity NPD7953 Approved
0.6198 Remote Similarity NPD1587 Approved
0.6195 Remote Similarity NPD6176 Phase 1
0.6193 Remote Similarity NPD7730 Approved
0.6193 Remote Similarity NPD7731 Approved
0.6188 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6188 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6188 Remote Similarity NPD6158 Phase 2
0.6186 Remote Similarity NPD4345 Clinical (unspecified phase)
0.6165 Remote Similarity NPD3379 Phase 2
0.6165 Remote Similarity NPD3380 Phase 3
0.6161 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6158 Remote Similarity NPD6249 Phase 2
0.6158 Remote Similarity NPD3814 Phase 1
0.6158 Remote Similarity NPD6248 Phase 2
0.6158 Remote Similarity NPD3425 Discontinued
0.6154 Remote Similarity NPD6487 Approved
0.6154 Remote Similarity NPD721 Approved
0.6154 Remote Similarity NPD6486 Approved
0.6154 Remote Similarity NPD3607 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6433298
ChEMBL   CHEMBL3121626
ZINC  

Physicochemical Properties

Molecular Weight:  590.31
ALogP:  2.4236
MLogP:  3.99
XLogP:  1.932
# Rotatable Bonds:  23
Polar Surface Area:  167.93
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  43

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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