Natural Product: NPC247406

Natural Product ID:  NPC247406
Common Name:   Poricoic Acid B
IUPAC Name:   (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
Synonyms:  
Molecular Formula:   C30H44O5
Standard InCHIKey:  NXAZWYWJZDFISF-KXGBKNTBSA-N
Standard InCHI:  InChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1
Canonical SMILES:  OC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1([C@@]2(C)C[C@H]([C@@H]1[C@H](C(=O)O)CCC=C(C)C)O)C)C(=C)C
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
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota epidermis of the sclerotia PMID[19746919]
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota TCMSP*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota TM-MC*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota TCMID*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO6117 Poria Species Coccinellidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0 % 11975480
NPT2 Others Unspecified Activity = 14.3 % 11975480
NPT2 Others Unspecified Activity = 54 % 11975480
NPT2 Others Unspecified Activity = 80.7 % 11975480
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 11975480
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 19746919
NPT2 Others Unspecified IC50 > 100000 nM 19746919
NPT32 Organism Mus musculus Mus musculus Inhibition = 68 % 23092389

  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 NPC247406 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
1.0 High Similarity NPC48866
0.9762 High Similarity NPC123854
0.9762 High Similarity NPC46281
0.9647 High Similarity NPC45269
0.9639 High Similarity NPC312215
0.9535 High Similarity NPC152897
0.9535 High Similarity NPC66429
0.9524 High Similarity NPC294480
0.9518 High Similarity NPC212843
0.9425 High Similarity NPC7165
0.9318 High Similarity NPC222845
0.9318 High Similarity NPC20546
0.9318 High Similarity NPC263347
0.9318 High Similarity NPC45324
0.9318 High Similarity NPC162001
0.9294 High Similarity NPC183546
0.9213 High Similarity NPC155676
0.9186 High Similarity NPC54689
0.9186 High Similarity NPC155479
0.9111 High Similarity NPC469432
0.9011 High Similarity NPC477813
0.9011 High Similarity NPC48647
0.9011 High Similarity NPC186810
0.8977 High Similarity NPC23434
0.8977 High Similarity NPC154101
0.8902 High Similarity NPC196827
0.8902 High Similarity NPC274996
0.8876 High Similarity NPC243866
0.8876 High Similarity NPC470375
0.8876 High Similarity NPC470376
0.881 High Similarity NPC296367
0.875 High Similarity NPC84271
0.875 High Similarity NPC102414
0.875 High Similarity NPC77168
0.8706 High Similarity NPC310470
0.8681 High Similarity NPC184848
0.8681 High Similarity NPC69548
0.8605 High Similarity NPC165064
0.8602 High Similarity NPC235464
0.8602 High Similarity NPC166745
0.8571 High Similarity NPC469406
0.8542 High Similarity NPC477812
0.8523 High Similarity NPC167877
0.8523 High Similarity NPC233836
0.8523 High Similarity NPC159046
0.8523 High Similarity NPC187376
0.8506 High Similarity NPC474218
0.8495 Intermediate Similarity NPC107243
0.8495 Intermediate Similarity NPC57416
0.8488 Intermediate Similarity NPC69279
0.8488 Intermediate Similarity NPC83569
0.8478 Intermediate Similarity NPC469599
0.8462 Intermediate Similarity NPC472942
0.8462 Intermediate Similarity NPC206810
0.8444 Intermediate Similarity NPC69622
0.8427 Intermediate Similarity NPC242864
0.8409 Intermediate Similarity NPC155011
0.8409 Intermediate Similarity NPC55309
0.8409 Intermediate Similarity NPC28252
0.8391 Intermediate Similarity NPC82902
0.8387 Intermediate Similarity NPC173272
0.8372 Intermediate Similarity NPC133391
0.837 Intermediate Similarity NPC49670
0.8352 Intermediate Similarity NPC150383
0.8352 Intermediate Similarity NPC297265
0.8333 Intermediate Similarity NPC476733
0.8333 Intermediate Similarity NPC204450
0.8333 Intermediate Similarity NPC475921
0.8333 Intermediate Similarity NPC474704
0.8333 Intermediate Similarity NPC195290
0.8333 Intermediate Similarity NPC215029
0.8333 Intermediate Similarity NPC214387
0.8333 Intermediate Similarity NPC477943
0.8316 Intermediate Similarity NPC218383
0.8315 Intermediate Similarity NPC142361
0.8315 Intermediate Similarity NPC317590
0.8315 Intermediate Similarity NPC96496
0.8315 Intermediate Similarity NPC136548
0.8315 Intermediate Similarity NPC474684
0.8298 Intermediate Similarity NPC475894
0.828 Intermediate Similarity NPC48330
0.8261 Intermediate Similarity NPC250575
0.8261 Intermediate Similarity NPC25750
0.8256 Intermediate Similarity NPC201912
0.8256 Intermediate Similarity NPC38350
0.8247 Intermediate Similarity NPC236390
0.8242 Intermediate Similarity NPC469400
0.8242 Intermediate Similarity NPC175628
0.8242 Intermediate Similarity NPC148414
0.8242 Intermediate Similarity NPC111585
0.8242 Intermediate Similarity NPC477147
0.8242 Intermediate Similarity NPC477149
0.8242 Intermediate Similarity NPC171441
0.8235 Intermediate Similarity NPC477371
0.8229 Intermediate Similarity NPC99411
0.8229 Intermediate Similarity NPC474327
0.8222 Intermediate Similarity NPC44181
0.8211 Intermediate Similarity NPC197386
0.8202 Intermediate Similarity NPC469994
0.8202 Intermediate Similarity NPC89077
0.8182 Intermediate Similarity NPC100391
0.8182 Intermediate Similarity NPC473246
0.8161 Intermediate Similarity NPC260956
0.8152 Intermediate Similarity NPC110657
0.8152 Intermediate Similarity NPC189520
0.8152 Intermediate Similarity NPC26888
0.8152 Intermediate Similarity NPC19114
0.8152 Intermediate Similarity NPC86266
0.8152 Intermediate Similarity NPC212301
0.8132 Intermediate Similarity NPC474889
0.809 Intermediate Similarity NPC474083
0.8085 Intermediate Similarity NPC127063
0.8085 Intermediate Similarity NPC241156
0.8072 Intermediate Similarity NPC301065
0.8068 Intermediate Similarity NPC312480
0.8068 Intermediate Similarity NPC245866
0.8068 Intermediate Similarity NPC477373
0.8065 Intermediate Similarity NPC107674
0.8065 Intermediate Similarity NPC141497
0.8065 Intermediate Similarity NPC170220
0.8065 Intermediate Similarity NPC470224
0.8061 Intermediate Similarity NPC140723
0.8046 Intermediate Similarity NPC477372
0.8046 Intermediate Similarity NPC147066
0.8043 Intermediate Similarity NPC320026
0.8043 Intermediate Similarity NPC44240
0.8043 Intermediate Similarity NPC471896
0.8041 Intermediate Similarity NPC146822
0.8022 Intermediate Similarity NPC470417
0.8022 Intermediate Similarity NPC328313
0.8022 Intermediate Similarity NPC28227
0.8021 Intermediate Similarity NPC10364
0.8021 Intermediate Similarity NPC471717
0.8 Intermediate Similarity NPC94755
0.8 Intermediate Similarity NPC473168
0.8 Intermediate Similarity NPC472941
0.8 Intermediate Similarity NPC80590
0.8 Intermediate Similarity NPC95565
0.8 Intermediate Similarity NPC456
0.8 Intermediate Similarity NPC125622
0.8 Intermediate Similarity NPC42042
0.798 Intermediate Similarity NPC472228
0.798 Intermediate Similarity NPC472227
0.7979 Intermediate Similarity NPC111015
0.7979 Intermediate Similarity NPC166906
0.7978 Intermediate Similarity NPC221758
0.7978 Intermediate Similarity NPC85774
0.7978 Intermediate Similarity NPC161423
0.7978 Intermediate Similarity NPC329043
0.7978 Intermediate Similarity NPC58841
0.7978 Intermediate Similarity NPC194937
0.7978 Intermediate Similarity NPC227064
0.7978 Intermediate Similarity NPC321187
0.7978 Intermediate Similarity NPC214043
0.7978 Intermediate Similarity NPC476038
0.7978 Intermediate Similarity NPC59453
0.7959 Intermediate Similarity NPC473928
0.7957 Intermediate Similarity NPC107690
0.7957 Intermediate Similarity NPC204341
0.7955 Intermediate Similarity NPC15910
0.7955 Intermediate Similarity NPC240302
0.7938 Intermediate Similarity NPC287833
0.7938 Intermediate Similarity NPC51370
0.7938 Intermediate Similarity NPC205899
0.7938 Intermediate Similarity NPC476274
0.7935 Intermediate Similarity NPC76879
0.7935 Intermediate Similarity NPC474570
0.7935 Intermediate Similarity NPC310236
0.7935 Intermediate Similarity NPC474679
0.7935 Intermediate Similarity NPC128496
0.7935 Intermediate Similarity NPC2983
0.7917 Intermediate Similarity NPC18319
0.7912 Intermediate Similarity NPC134197
0.7912 Intermediate Similarity NPC477926
0.7912 Intermediate Similarity NPC90652
0.7907 Intermediate Similarity NPC321514
0.7895 Intermediate Similarity NPC88310
0.7895 Intermediate Similarity NPC317586
0.7895 Intermediate Similarity NPC174948
0.7895 Intermediate Similarity NPC318282
0.7895 Intermediate Similarity NPC173875
0.7895 Intermediate Similarity NPC470016
0.7895 Intermediate Similarity NPC472932
0.7895 Intermediate Similarity NPC469995
0.7889 Intermediate Similarity NPC283733
0.7889 Intermediate Similarity NPC329738
0.7889 Intermediate Similarity NPC471224
0.7885 Intermediate Similarity NPC73455
0.7885 Intermediate Similarity NPC200944
0.7882 Intermediate Similarity NPC309399
0.7872 Intermediate Similarity NPC470254
0.7872 Intermediate Similarity NPC214697
0.7872 Intermediate Similarity NPC109414
0.7865 Intermediate Similarity NPC470015
0.7865 Intermediate Similarity NPC477852
0.7865 Intermediate Similarity NPC474748
0.7865 Intermediate Similarity NPC476082
0.7865 Intermediate Similarity NPC278648
0.7865 Intermediate Similarity NPC168188
0.7857 Intermediate Similarity NPC476223

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC247406 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
0.8556 High Similarity NPD5281 Approved
0.8556 High Similarity NPD5284 Approved
0.8261 Intermediate Similarity NPD6399 Phase 3
0.8 Intermediate Similarity NPD5279 Phase 3
0.7978 Intermediate Similarity NPD3666 Approved
0.7978 Intermediate Similarity NPD4786 Approved
0.7978 Intermediate Similarity NPD3133 Approved
0.7978 Intermediate Similarity NPD3665 Phase 1
0.7917 Intermediate Similarity NPD6083 Phase 2
0.7917 Intermediate Similarity NPD6084 Phase 2
0.7895 Intermediate Similarity NPD5695 Phase 3
0.7802 Intermediate Similarity NPD5280 Approved
0.7802 Intermediate Similarity NPD7521 Approved
0.7802 Intermediate Similarity NPD7334 Approved
0.7802 Intermediate Similarity NPD7146 Approved
0.7802 Intermediate Similarity NPD6684 Approved
0.7802 Intermediate Similarity NPD6409 Approved
0.7802 Intermediate Similarity NPD5330 Approved
0.7802 Intermediate Similarity NPD4694 Approved
0.7766 Intermediate Similarity NPD6050 Approved
0.7753 Intermediate Similarity NPD3667 Approved
0.7742 Intermediate Similarity NPD4753 Phase 2
0.7727 Intermediate Similarity NPD5368 Approved
0.7723 Intermediate Similarity NPD6675 Approved
0.7723 Intermediate Similarity NPD7128 Approved
0.7723 Intermediate Similarity NPD6402 Approved
0.7723 Intermediate Similarity NPD5739 Approved
0.7701 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD4202 Approved
0.767 Intermediate Similarity NPD6373 Approved
0.767 Intermediate Similarity NPD6372 Approved
0.7667 Intermediate Similarity NPD5362 Discontinued
0.766 Intermediate Similarity NPD5207 Approved
0.766 Intermediate Similarity NPD5692 Phase 3
0.7653 Intermediate Similarity NPD5696 Approved
0.764 Intermediate Similarity NPD5369 Approved
0.7634 Intermediate Similarity NPD6903 Approved
0.7634 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD3618 Phase 1
0.7579 Intermediate Similarity NPD5694 Approved
0.7579 Intermediate Similarity NPD6411 Approved
0.7573 Intermediate Similarity NPD6881 Approved
0.7573 Intermediate Similarity NPD6899 Approved
0.7573 Intermediate Similarity NPD7320 Approved
0.7556 Intermediate Similarity NPD4270 Approved
0.7556 Intermediate Similarity NPD4223 Phase 3
0.7556 Intermediate Similarity NPD4269 Approved
0.7556 Intermediate Similarity NPD6435 Approved
0.7556 Intermediate Similarity NPD4221 Approved
0.7553 Intermediate Similarity NPD5328 Approved
0.7551 Intermediate Similarity NPD4755 Approved
0.7526 Intermediate Similarity NPD5210 Approved
0.7526 Intermediate Similarity NPD4629 Approved
0.7524 Intermediate Similarity NPD6650 Approved
0.7524 Intermediate Similarity NPD6649 Approved
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5329 Approved
0.7476 Intermediate Similarity NPD5701 Approved
0.7476 Intermediate Similarity NPD5697 Approved
0.7447 Intermediate Similarity NPD5737 Approved
0.7447 Intermediate Similarity NPD6672 Approved
0.7429 Intermediate Similarity NPD7290 Approved
0.7429 Intermediate Similarity NPD7102 Approved
0.7429 Intermediate Similarity NPD6883 Approved
0.7419 Intermediate Similarity NPD5690 Phase 2
0.7419 Intermediate Similarity NPD6098 Approved
0.7404 Intermediate Similarity NPD6011 Approved
0.74 Intermediate Similarity NPD5286 Approved
0.74 Intermediate Similarity NPD4700 Approved
0.74 Intermediate Similarity NPD4696 Approved
0.74 Intermediate Similarity NPD5285 Approved
0.7396 Intermediate Similarity NPD8034 Phase 2
0.7396 Intermediate Similarity NPD8035 Phase 2
0.7396 Intermediate Similarity NPD6079 Approved
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7391 Intermediate Similarity NPD4197 Approved
0.7368 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6101 Approved
0.7368 Intermediate Similarity NPD6904 Approved
0.7368 Intermediate Similarity NPD6673 Approved
0.7368 Intermediate Similarity NPD6080 Approved
0.7358 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD8130 Phase 1
0.7358 Intermediate Similarity NPD6617 Approved
0.7358 Intermediate Similarity NPD6869 Approved
0.7358 Intermediate Similarity NPD6847 Approved
0.7347 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6014 Approved
0.7333 Intermediate Similarity NPD4819 Approved
0.7333 Intermediate Similarity NPD6013 Approved
0.7333 Intermediate Similarity NPD4252 Approved
0.7333 Intermediate Similarity NPD4821 Approved
0.7333 Intermediate Similarity NPD4822 Approved
0.7333 Intermediate Similarity NPD4820 Approved
0.7333 Intermediate Similarity NPD6012 Approved
0.7327 Intermediate Similarity NPD5223 Approved
0.7312 Intermediate Similarity NPD5363 Approved
0.7312 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4271 Approved
0.7303 Intermediate Similarity NPD4268 Approved
0.7292 Intermediate Similarity NPD4096 Approved
0.7292 Intermediate Similarity NPD5785 Approved
0.729 Intermediate Similarity NPD8297 Approved
0.729 Intermediate Similarity NPD6882 Approved
0.7283 Intermediate Similarity NPD4788 Approved
0.7283 Intermediate Similarity NPD5331 Approved
0.7283 Intermediate Similarity NPD5332 Approved
0.7273 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4697 Phase 3
0.7263 Intermediate Similarity NPD4518 Approved
0.7255 Intermediate Similarity NPD5225 Approved
0.7255 Intermediate Similarity NPD4633 Approved
0.7255 Intermediate Similarity NPD5226 Approved
0.7255 Intermediate Similarity NPD5224 Approved
0.7255 Intermediate Similarity NPD5211 Phase 2
0.7253 Intermediate Similarity NPD4790 Discontinued
0.7253 Intermediate Similarity NPD4139 Approved
0.7253 Intermediate Similarity NPD4692 Approved
0.7241 Intermediate Similarity NPD6926 Approved
0.7241 Intermediate Similarity NPD6924 Approved
0.7234 Intermediate Similarity NPD4689 Approved
0.7234 Intermediate Similarity NPD5205 Approved
0.7234 Intermediate Similarity NPD4690 Approved
0.7234 Intermediate Similarity NPD4693 Phase 3
0.7234 Intermediate Similarity NPD5786 Approved
0.7234 Intermediate Similarity NPD4688 Approved
0.7234 Intermediate Similarity NPD4138 Approved
0.7204 Intermediate Similarity NPD3668 Phase 3
0.72 Intermediate Similarity NPD7902 Approved
0.7188 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD4754 Approved
0.7184 Intermediate Similarity NPD5174 Approved
0.7184 Intermediate Similarity NPD5175 Approved
0.7172 Intermediate Similarity NPD5654 Approved
0.7159 Intermediate Similarity NPD7339 Approved
0.7159 Intermediate Similarity NPD6942 Approved
0.7143 Intermediate Similarity NPD7525 Registered
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7143 Intermediate Similarity NPD5779 Approved
0.7143 Intermediate Similarity NPD5778 Approved
0.7143 Intermediate Similarity NPD5133 Approved
0.7143 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7638 Approved
0.7115 Intermediate Similarity NPD5141 Approved
0.71 Intermediate Similarity NPD5222 Approved
0.71 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD5221 Approved
0.7083 Intermediate Similarity NPD5208 Approved
0.7079 Intermediate Similarity NPD6933 Approved
0.7071 Intermediate Similarity NPD7748 Approved
0.7064 Intermediate Similarity NPD4632 Approved
0.7059 Intermediate Similarity NPD7640 Approved
0.7059 Intermediate Similarity NPD6404 Discontinued
0.7059 Intermediate Similarity NPD7639 Approved
0.7053 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6008 Approved
0.7048 Intermediate Similarity NPD4768 Approved
0.7048 Intermediate Similarity NPD4767 Approved
0.7045 Intermediate Similarity NPD5733 Approved
0.7041 Intermediate Similarity NPD5693 Phase 1
0.7041 Intermediate Similarity NPD7637 Suspended
0.703 Intermediate Similarity NPD5173 Approved
0.703 Intermediate Similarity NPD5959 Approved
0.7011 Intermediate Similarity NPD4243 Approved
0.701 Intermediate Similarity NPD6051 Approved
0.7 Intermediate Similarity NPD6116 Phase 1
0.6977 Remote Similarity NPD6923 Approved
0.6977 Remote Similarity NPD6922 Approved
0.6972 Remote Similarity NPD6053 Discontinued
0.6964 Remote Similarity NPD6335 Approved
0.6937 Remote Similarity NPD6274 Approved
0.6916 Remote Similarity NPD4730 Approved
0.6916 Remote Similarity NPD5128 Approved
0.6916 Remote Similarity NPD4729 Approved
0.6915 Remote Similarity NPD7154 Phase 3
0.6903 Remote Similarity NPD7100 Approved
0.6903 Remote Similarity NPD7101 Approved
0.69 Remote Similarity NPD6001 Approved
0.69 Remote Similarity NPD7901 Clinical (unspecified phase)
0.69 Remote Similarity NPD7900 Approved
0.6897 Remote Similarity NPD7143 Approved
0.6897 Remote Similarity NPD7144 Approved
0.6889 Remote Similarity NPD6117 Approved
0.6875 Remote Similarity NPD6317 Approved
0.6875 Remote Similarity NPD6009 Approved
0.6854 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4784 Approved
0.6854 Remote Similarity NPD4687 Approved
0.6854 Remote Similarity NPD4785 Approved
0.6848 Remote Similarity NPD4195 Approved
0.6848 Remote Similarity NPD6929 Approved
0.6842 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7151 Approved
0.6818 Remote Similarity NPD7152 Approved
0.6818 Remote Similarity NPD5276 Approved
0.6818 Remote Similarity NPD7150 Approved
0.6814 Remote Similarity NPD6313 Approved
0.6814 Remote Similarity NPD6314 Approved
0.6789 Remote Similarity NPD5135 Approved
0.6789 Remote Similarity NPD5134 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5471852
ChEMBL   CHEMBL456872
ZINC  

Physicochemical Properties

Molecular Weight:  484.32
ALogP:  3.8253
MLogP:  4.21
XLogP:  6.583
# Rotatable Bonds:  18
Polar Surface Area:  94.83
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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