General Information of the Compound
| Compound ID |
CP0136263
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| Compound Name |
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
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| Synonyms |
(3beta,22S,23R)-17,23-epoxyveratraman-3-ol
11-Deoxojervine
11-Deoxyjervine
4449-51-8
AC1L9DRQ
CHEBI:4021
CHEMBL254129
CY8
CYCLOPAMINE
DSSTox_CID_23709
DSSTox_RID_80067
HSDB 3505
Jervine, 11-deoxo-
SCHEMBL29153
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI)
UNII-ZH658AJ192
Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-
ZH658AJ192
[3H]-Cyclopamine
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| Structure |
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| Formula |
C27H41NO2
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| Molecular Weight |
411.63
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| Canonical SMILES |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
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| InChI |
InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
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| InChIKey |
QASFUMOKHFSJGL-LAFRSMQTSA-N
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| CAS |
4449-51-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04361, Protein smoothened
Protein ID: PT02397, Protein smoothened
Protein ID: PT02715, Sonic hedgehog protein
Protein ID: PT03751, Zinc finger protein GLI1
Clinical Information about the Compound