General Information of the Compound
| Compound ID |
CP0484579
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| Compound Name |
(3R,6S,9S,12R,15S,18S,21S,24S,27S)-12,24-bis[(2S)-butan-2-yl]-6-(hydroxymethyl)-15-(2-hydroxypropan-2-yl)-3,4,10,16,22-pentamethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
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| Structure |
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| Formula |
C48H84N8O12
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| Molecular Weight |
965.244
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC
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| InChI |
InChI=1S/C48H84N8O12/c1-18-28(9)34-45(64)53(15)35(26(5)6)40(59)49-31(23-25(3)4)43(62)55(17)38(48(12,13)67)47(66)68-37(29(10)19-2)46(65)54(16)36(27(7)8)41(60)50-32(24-57)44(63)52(14)30(11)42(61)56-22-20-21-33(56)39(58)51-34/h25-38,57,67H,18-24H2,1-17H3,(H,49,59)(H,50,60)(H,51,58)/t28-,29-,30+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
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| InChIKey |
ZPCUBEVVSSXLJD-LHVAPPFFSA-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