General Information of the Compound
| Compound ID |
CP0533773
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| Compound Name |
[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-amino-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] N-cyclopropylcarbamate
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| Formula |
C33H56N2O2
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| Molecular Weight |
512.823
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@]2(N)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
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| InChI |
InChI=1S/C33H56N2O2/c1-20(2)22-12-17-33(34)19-18-31(6)23(27(22)33)10-11-25-30(5)15-14-26(37-28(36)35-21-8-9-21)29(3,4)24(30)13-16-32(25,31)7/h20-27H,8-19,34H2,1-7H3,(H,35,36)/t22-,23+,24-,25+,26+,27+,30-,31+,32+,33-/m0/s1
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| InChIKey |
UMBXESINEDCVJZ-RASZWPTLSA-N
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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