Natural Product: NPC478129

Natural Product ID:  NPC478129
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H48O9S2.2Na
Standard InCHIKey:  WYJAHVSVZYBJTI-JEBIPZLNSA-L
Standard InCHI:  InChI=1S/C30H48O9S2.2Na/c1-19(2)15-21(31)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-38-40(32,33)34)25(39-41(35,36)37)10-12-29(23)17-30(24,29)14-13-27(22,28)5;;/h15,20,22-25H,7-14,16-18H2,1-6H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/t20-,22-,23+,24+,25+,26+,27-,28+,29-,30+;;/m1../s1
Canonical SMILES:  CC(=CC(=O)C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H]([C@@]2(C)COS(=O)(=O)[O-])OS(=O)(=O)[O-])C)C)C.[Na+].[Na+]
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
NPO33593 Tydemania expeditionis Species Eukaryota depths of 7–20 m at Herald Pass, Kadavu Province, Fiji (18°46.370' S, 178°27.746' E) PMID[18763828]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 31000 nM 18763828
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 31000 nM 18763828
NPT90 Cell Line DU-145 Homo sapiens IC50 = 31000 nM 18763828
NPT306 Cell Line PC-3 Homo sapiens IC50 = 31000 nM 18763828
NPT2155 Cell Line SHP77 Homo sapiens IC50 = 31000 nM 18763828
NPT937 Cell Line NCI-H446 Homo sapiens IC50 = 31000 nM 18763828
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 31000 nM 18763828
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 31000 nM 18763828
NPT784 Cell Line MDA-MB-468 Homo sapiens IC50 = 31000 nM 18763828
NPT1900 Cell Line DU-4475 Homo sapiens IC50 = 31000 nM 18763828
NPT457 Cell Line BT-549 Homo sapiens IC50 = 31000 nM 18763828
NPT3927 Organism Rotifers Rotifera Activity = 9 % 18763828
NPT2 Others Unspecified IC50 = 39000 nM 8158167

  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 NPC478129 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
0.875 High Similarity NPC478127
0.8696 High Similarity NPC475255
0.8495 Intermediate Similarity NPC12722
0.8409 Intermediate Similarity NPC328351
0.8372 Intermediate Similarity NPC478128
0.837 Intermediate Similarity NPC1015
0.837 Intermediate Similarity NPC31985
0.828 Intermediate Similarity NPC126993
0.8222 Intermediate Similarity NPC25833
0.8191 Intermediate Similarity NPC272746
0.8152 Intermediate Similarity NPC475740
0.8132 Intermediate Similarity NPC76518
0.8132 Intermediate Similarity NPC470574
0.81 Intermediate Similarity NPC312900
0.8085 Intermediate Similarity NPC85173
0.8065 Intermediate Similarity NPC292491
0.8065 Intermediate Similarity NPC328539
0.8065 Intermediate Similarity NPC310752
0.8065 Intermediate Similarity NPC193360
0.8065 Intermediate Similarity NPC471722
0.8043 Intermediate Similarity NPC478094
0.8043 Intermediate Similarity NPC72133
0.8043 Intermediate Similarity NPC474778
0.8043 Intermediate Similarity NPC474733
0.8043 Intermediate Similarity NPC145879
0.8043 Intermediate Similarity NPC474732
0.8043 Intermediate Similarity NPC31564
0.8041 Intermediate Similarity NPC327788
0.8022 Intermediate Similarity NPC214043
0.8022 Intermediate Similarity NPC85774
0.8021 Intermediate Similarity NPC111015
0.8021 Intermediate Similarity NPC245972
0.8021 Intermediate Similarity NPC196485
0.8 Intermediate Similarity NPC185936
0.8 Intermediate Similarity NPC168027
0.8 Intermediate Similarity NPC473998
0.7979 Intermediate Similarity NPC475921
0.7979 Intermediate Similarity NPC474704
0.7979 Intermediate Similarity NPC275740
0.7979 Intermediate Similarity NPC309603
0.7979 Intermediate Similarity NPC473999
0.7979 Intermediate Similarity NPC86319
0.7957 Intermediate Similarity NPC89747
0.7957 Intermediate Similarity NPC141292
0.7957 Intermediate Similarity NPC58063
0.7957 Intermediate Similarity NPC478104
0.7955 Intermediate Similarity NPC475337
0.7938 Intermediate Similarity NPC476174
0.7935 Intermediate Similarity NPC22133
0.7895 Intermediate Similarity NPC48010
0.7895 Intermediate Similarity NPC191684
0.7895 Intermediate Similarity NPC475965
0.7895 Intermediate Similarity NPC474842
0.7889 Intermediate Similarity NPC473534
0.7879 Intermediate Similarity NPC252295
0.7872 Intermediate Similarity NPC131470
0.7872 Intermediate Similarity NPC474677
0.7872 Intermediate Similarity NPC143767
0.7843 Intermediate Similarity NPC72255
0.7835 Intermediate Similarity NPC473280
0.7835 Intermediate Similarity NPC471078
0.7835 Intermediate Similarity NPC473435
0.7835 Intermediate Similarity NPC474690
0.7835 Intermediate Similarity NPC8993
0.7835 Intermediate Similarity NPC473431
0.7835 Intermediate Similarity NPC209662
0.7826 Intermediate Similarity NPC469878
0.7826 Intermediate Similarity NPC473246
0.7826 Intermediate Similarity NPC221758
0.7826 Intermediate Similarity NPC59453
0.7826 Intermediate Similarity NPC478102
0.7812 Intermediate Similarity NPC475806
0.7812 Intermediate Similarity NPC155304
0.7802 Intermediate Similarity NPC163236
0.7789 Intermediate Similarity NPC268406
0.7789 Intermediate Similarity NPC186688
0.7789 Intermediate Similarity NPC271974
0.7789 Intermediate Similarity NPC474245
0.7789 Intermediate Similarity NPC122116
0.7789 Intermediate Similarity NPC26959
0.7789 Intermediate Similarity NPC247312
0.7789 Intermediate Similarity NPC477943
0.7789 Intermediate Similarity NPC128496
0.7789 Intermediate Similarity NPC32830
0.7789 Intermediate Similarity NPC119416
0.7778 Intermediate Similarity NPC18509
0.7778 Intermediate Similarity NPC156546
0.7778 Intermediate Similarity NPC108078
0.7766 Intermediate Similarity NPC93778
0.7766 Intermediate Similarity NPC474684
0.7766 Intermediate Similarity NPC142361
0.7766 Intermediate Similarity NPC90652
0.7755 Intermediate Similarity NPC88310
0.7755 Intermediate Similarity NPC180950
0.7755 Intermediate Similarity NPC271195
0.7755 Intermediate Similarity NPC473170
0.7742 Intermediate Similarity NPC197823
0.7742 Intermediate Similarity NPC469948
0.7732 Intermediate Similarity NPC69454
0.7732 Intermediate Similarity NPC474185
0.7732 Intermediate Similarity NPC476304
0.7732 Intermediate Similarity NPC472930
0.7723 Intermediate Similarity NPC476897
0.7717 Intermediate Similarity NPC139206
0.7717 Intermediate Similarity NPC470047
0.7717 Intermediate Similarity NPC470046
0.7717 Intermediate Similarity NPC472743
0.7717 Intermediate Similarity NPC475726
0.7708 Intermediate Similarity NPC183283
0.7708 Intermediate Similarity NPC471896
0.77 Intermediate Similarity NPC191565
0.7692 Intermediate Similarity NPC473217
0.7684 Intermediate Similarity NPC472802
0.7684 Intermediate Similarity NPC80335
0.7684 Intermediate Similarity NPC471724
0.7684 Intermediate Similarity NPC470417
0.7684 Intermediate Similarity NPC146937
0.7677 Intermediate Similarity NPC160056
0.7677 Intermediate Similarity NPC122324
0.7677 Intermediate Similarity NPC151725
0.7677 Intermediate Similarity NPC106425
0.7677 Intermediate Similarity NPC114743
0.7677 Intermediate Similarity NPC471153
0.7677 Intermediate Similarity NPC307164
0.7677 Intermediate Similarity NPC192428
0.7677 Intermediate Similarity NPC29152
0.7677 Intermediate Similarity NPC249954
0.7677 Intermediate Similarity NPC195366
0.7667 Intermediate Similarity NPC215843
0.766 Intermediate Similarity NPC118648
0.766 Intermediate Similarity NPC222613
0.766 Intermediate Similarity NPC158393
0.766 Intermediate Similarity NPC213412
0.766 Intermediate Similarity NPC195640
0.766 Intermediate Similarity NPC51014
0.766 Intermediate Similarity NPC471737
0.766 Intermediate Similarity NPC475022
0.766 Intermediate Similarity NPC94755
0.7653 Intermediate Similarity NPC476186
0.7653 Intermediate Similarity NPC299100
0.7653 Intermediate Similarity NPC166906
0.7653 Intermediate Similarity NPC124207
0.7647 Intermediate Similarity NPC22388
0.7647 Intermediate Similarity NPC271980
0.7647 Intermediate Similarity NPC193934
0.7634 Intermediate Similarity NPC472265
0.7634 Intermediate Similarity NPC58841
0.7634 Intermediate Similarity NPC161423
0.7634 Intermediate Similarity NPC227064
0.7634 Intermediate Similarity NPC82902
0.7634 Intermediate Similarity NPC475745
0.7634 Intermediate Similarity NPC237712
0.7634 Intermediate Similarity NPC474482
0.7634 Intermediate Similarity NPC329043
0.7634 Intermediate Similarity NPC321187
0.7629 Intermediate Similarity NPC233455
0.7629 Intermediate Similarity NPC4036
0.7629 Intermediate Similarity NPC233116
0.7629 Intermediate Similarity NPC110923
0.7629 Intermediate Similarity NPC65120
0.7629 Intermediate Similarity NPC145067
0.7629 Intermediate Similarity NPC74296
0.7629 Intermediate Similarity NPC86266
0.7629 Intermediate Similarity NPC189520
0.7629 Intermediate Similarity NPC158030
0.7629 Intermediate Similarity NPC212301
0.7629 Intermediate Similarity NPC63748
0.7629 Intermediate Similarity NPC110657
0.7629 Intermediate Similarity NPC131872
0.7624 Intermediate Similarity NPC144956
0.7624 Intermediate Similarity NPC154072
0.7624 Intermediate Similarity NPC470906
0.7614 Intermediate Similarity NPC255650
0.7609 Intermediate Similarity NPC151519
0.7609 Intermediate Similarity NPC477858
0.7604 Intermediate Similarity NPC77263
0.7604 Intermediate Similarity NPC250592
0.7604 Intermediate Similarity NPC229871
0.7604 Intermediate Similarity NPC310010
0.7604 Intermediate Similarity NPC326627
0.7604 Intermediate Similarity NPC469319
0.76 Intermediate Similarity NPC151488
0.76 Intermediate Similarity NPC110937
0.76 Intermediate Similarity NPC190554
0.76 Intermediate Similarity NPC23680
0.76 Intermediate Similarity NPC474938
0.76 Intermediate Similarity NPC474785
0.7579 Intermediate Similarity NPC187376
0.7579 Intermediate Similarity NPC241875
0.7579 Intermediate Similarity NPC469314
0.7579 Intermediate Similarity NPC269360
0.7579 Intermediate Similarity NPC174619
0.7579 Intermediate Similarity NPC475313
0.7579 Intermediate Similarity NPC469317
0.7579 Intermediate Similarity NPC264005
0.7579 Intermediate Similarity NPC317590
0.7579 Intermediate Similarity NPC159046
0.7579 Intermediate Similarity NPC233836
0.7576 Intermediate Similarity NPC266431
0.7576 Intermediate Similarity NPC33473

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478129 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
0.8222 Intermediate Similarity NPD3668 Phase 3
0.8172 Intermediate Similarity NPD5328 Approved
0.8043 Intermediate Similarity NPD3618 Phase 1
0.8 Intermediate Similarity NPD6079 Approved
0.7826 Intermediate Similarity NPD4786 Approved
0.7778 Intermediate Similarity NPD4755 Approved
0.7755 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7732 Intermediate Similarity NPD4202 Approved
0.7684 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD6672 Approved
0.7684 Intermediate Similarity NPD5737 Approved
0.7677 Intermediate Similarity NPD5222 Approved
0.7677 Intermediate Similarity NPD4697 Phase 3
0.7677 Intermediate Similarity NPD5221 Approved
0.7677 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD5330 Approved
0.766 Intermediate Similarity NPD7146 Approved
0.766 Intermediate Similarity NPD6409 Approved
0.766 Intermediate Similarity NPD7334 Approved
0.766 Intermediate Similarity NPD6684 Approved
0.766 Intermediate Similarity NPD7521 Approved
0.7634 Intermediate Similarity NPD3666 Approved
0.7634 Intermediate Similarity NPD3665 Phase 1
0.7634 Intermediate Similarity NPD3133 Approved
0.7629 Intermediate Similarity NPD7515 Phase 2
0.7624 Intermediate Similarity NPD5286 Approved
0.7624 Intermediate Similarity NPD4696 Approved
0.7624 Intermediate Similarity NPD5285 Approved
0.7624 Intermediate Similarity NPD4700 Approved
0.7609 Intermediate Similarity NPD3667 Approved
0.7604 Intermediate Similarity NPD4753 Phase 2
0.76 Intermediate Similarity NPD5173 Approved
0.75 Intermediate Similarity NPD6903 Approved
0.7476 Intermediate Similarity NPD5211 Phase 2
0.7476 Intermediate Similarity NPD5225 Approved
0.7476 Intermediate Similarity NPD5224 Approved
0.7476 Intermediate Similarity NPD5226 Approved
0.7476 Intermediate Similarity NPD4633 Approved
0.7475 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD7900 Approved
0.7475 Intermediate Similarity NPD7748 Approved
0.7429 Intermediate Similarity NPD4768 Approved
0.7429 Intermediate Similarity NPD5739 Approved
0.7429 Intermediate Similarity NPD6675 Approved
0.7429 Intermediate Similarity NPD4767 Approved
0.7429 Intermediate Similarity NPD7128 Approved
0.7429 Intermediate Similarity NPD6402 Approved
0.7419 Intermediate Similarity NPD4223 Phase 3
0.7419 Intermediate Similarity NPD4221 Approved
0.7404 Intermediate Similarity NPD5175 Approved
0.7404 Intermediate Similarity NPD5174 Approved
0.7404 Intermediate Similarity NPD4754 Approved
0.7391 Intermediate Similarity NPD7525 Registered
0.7383 Intermediate Similarity NPD6373 Approved
0.7383 Intermediate Similarity NPD6372 Approved
0.7379 Intermediate Similarity NPD5223 Approved
0.7374 Intermediate Similarity NPD6399 Phase 3
0.7368 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5329 Approved
0.7356 Intermediate Similarity NPD4747 Approved
0.7333 Intermediate Similarity NPD5141 Approved
0.73 Intermediate Similarity NPD6001 Approved
0.7292 Intermediate Similarity NPD5279 Phase 3
0.7292 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD7320 Approved
0.729 Intermediate Similarity NPD4730 Approved
0.729 Intermediate Similarity NPD6899 Approved
0.729 Intermediate Similarity NPD6881 Approved
0.729 Intermediate Similarity NPD4729 Approved
0.7264 Intermediate Similarity NPD6008 Approved
0.7263 Intermediate Similarity NPD4197 Approved
0.7255 Intermediate Similarity NPD7902 Approved
0.7255 Intermediate Similarity NPD6083 Phase 2
0.7255 Intermediate Similarity NPD6084 Phase 2
0.7248 Intermediate Similarity NPD6650 Approved
0.7248 Intermediate Similarity NPD6649 Approved
0.7245 Intermediate Similarity NPD6904 Approved
0.7245 Intermediate Similarity NPD6080 Approved
0.7245 Intermediate Similarity NPD6673 Approved
0.7241 Intermediate Similarity NPD4137 Phase 3
0.7228 Intermediate Similarity NPD5210 Approved
0.7228 Intermediate Similarity NPD4629 Approved
0.7196 Intermediate Similarity NPD5701 Approved
0.7196 Intermediate Similarity NPD5697 Approved
0.7184 Intermediate Similarity NPD7638 Approved
0.7182 Intermediate Similarity NPD8297 Approved
0.7182 Intermediate Similarity NPD6882 Approved
0.7159 Intermediate Similarity NPD4691 Approved
0.7158 Intermediate Similarity NPD4788 Approved
0.7156 Intermediate Similarity NPD6883 Approved
0.7156 Intermediate Similarity NPD5247 Approved
0.7156 Intermediate Similarity NPD5249 Phase 3
0.7156 Intermediate Similarity NPD5248 Approved
0.7156 Intermediate Similarity NPD7290 Approved
0.7156 Intermediate Similarity NPD5251 Approved
0.7156 Intermediate Similarity NPD7102 Approved
0.7156 Intermediate Similarity NPD5250 Approved
0.713 Intermediate Similarity NPD5128 Approved
0.7115 Intermediate Similarity NPD7639 Approved
0.7115 Intermediate Similarity NPD7640 Approved
0.7113 Intermediate Similarity NPD4690 Approved
0.7113 Intermediate Similarity NPD5205 Approved
0.7113 Intermediate Similarity NPD4689 Approved
0.7113 Intermediate Similarity NPD4688 Approved
0.7113 Intermediate Similarity NPD4138 Approved
0.7113 Intermediate Similarity NPD4693 Phase 3
0.7111 Intermediate Similarity NPD5733 Approved
0.71 Intermediate Similarity NPD8035 Phase 2
0.71 Intermediate Similarity NPD8034 Phase 2
0.7091 Intermediate Similarity NPD6617 Approved
0.7091 Intermediate Similarity NPD8130 Phase 1
0.7091 Intermediate Similarity NPD6847 Approved
0.7091 Intermediate Similarity NPD6869 Approved
0.7091 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6012 Approved
0.7064 Intermediate Similarity NPD6013 Approved
0.7064 Intermediate Similarity NPD6014 Approved
0.7059 Intermediate Similarity NPD5695 Phase 3
0.7019 Intermediate Similarity NPD5696 Approved
0.7 Intermediate Similarity NPD4634 Approved
0.7 Intermediate Similarity NPD5135 Approved
0.7 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3617 Approved
0.6972 Remote Similarity NPD5168 Approved
0.6972 Remote Similarity NPD6011 Approved
0.697 Remote Similarity NPD5208 Approved
0.6939 Remote Similarity NPD4694 Approved
0.6939 Remote Similarity NPD5690 Phase 2
0.6939 Remote Similarity NPD6098 Approved
0.6939 Remote Similarity NPD5280 Approved
0.6937 Remote Similarity NPD5215 Approved
0.6937 Remote Similarity NPD5216 Approved
0.6937 Remote Similarity NPD5217 Approved
0.6931 Remote Similarity NPD5693 Phase 1
0.6931 Remote Similarity NPD6050 Approved
0.693 Remote Similarity NPD7115 Discovery
0.6923 Remote Similarity NPD4058 Approved
0.6923 Remote Similarity NPD4687 Approved
0.6889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6889 Remote Similarity NPD5276 Approved
0.6889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6869 Remote Similarity NPD3573 Approved
0.6848 Remote Similarity NPD7339 Approved
0.6848 Remote Similarity NPD6942 Approved
0.6847 Remote Similarity NPD5169 Approved
0.6842 Remote Similarity NPD4695 Discontinued
0.6832 Remote Similarity NPD5692 Phase 3
0.6809 Remote Similarity NPD5364 Discontinued
0.6786 Remote Similarity NPD5127 Approved
0.6774 Remote Similarity NPD6117 Approved
0.6765 Remote Similarity NPD5284 Approved
0.6765 Remote Similarity NPD5281 Approved
0.6765 Remote Similarity NPD5694 Approved
0.6742 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6737 Remote Similarity NPD7645 Phase 2
0.6737 Remote Similarity NPD4195 Approved
0.6727 Remote Similarity NPD6412 Phase 2
0.6702 Remote Similarity NPD6116 Phase 1
0.6701 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5133 Approved
0.6698 Remote Similarity NPD5290 Discontinued
0.6696 Remote Similarity NPD6868 Approved
0.6696 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD7101 Approved
0.6638 Remote Similarity NPD6317 Approved
0.6632 Remote Similarity NPD6697 Approved
0.6632 Remote Similarity NPD6115 Approved
0.6632 Remote Similarity NPD6118 Approved
0.6632 Remote Similarity NPD6114 Approved
0.661 Remote Similarity NPD6319 Approved
0.661 Remote Similarity NPD6054 Approved
0.661 Remote Similarity NPD6059 Approved
0.6609 Remote Similarity NPD5167 Approved
0.6606 Remote Similarity NPD6052 Approved
0.6604 Remote Similarity NPD5959 Approved
0.66 Remote Similarity NPD4519 Discontinued
0.66 Remote Similarity NPD4623 Approved
0.6596 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6583 Remote Similarity NPD7604 Phase 2
0.6581 Remote Similarity NPD6335 Approved
0.6569 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5360 Phase 3
0.6556 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6909 Approved
0.6555 Remote Similarity NPD6908 Approved
0.6514 Remote Similarity NPD7632 Discontinued
0.6505 Remote Similarity NPD4096 Approved
0.65 Remote Similarity NPD1694 Approved
0.65 Remote Similarity NPD6370 Approved
0.6496 Remote Similarity NPD6009 Approved
0.6489 Remote Similarity NPD3703 Phase 2
0.6475 Remote Similarity NPD7507 Approved
0.6441 Remote Similarity NPD6314 Approved
0.6441 Remote Similarity NPD6313 Approved

Structure

External Identifiers

PubChem CID   25058092
ChEMBL   CHEMBL446521
ZINC  

Physicochemical Properties

Molecular Weight:  614.26
ALogP:  -0.0932
MLogP:  3.55
XLogP:  6.103
# Rotatable Bonds:  17
Polar Surface Area:  166.69
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  41

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs