General Information of the Compound
| Compound ID |
CP0446898
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| Compound Name |
(12S,14S,17E)-7-chloro-23-(cyclopropylmethyl)-12-(hydroxymethyl)-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaen-24-one
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| Structure |
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| Formula |
C28H31ClN6O4
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| Molecular Weight |
551.047
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(CC5CC5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
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| InChI |
InChI=1S/C28H31ClN6O4/c29-22-13-30-35-25-12-24(32-28(22)35)33-15-21(11-20(33)16-36)38-7-1-2-8-39-23-10-19(31-25)9-18-5-6-26(37)34(27(18)23)14-17-3-4-17/h1-2,9-10,12-13,17,20-21,31,36H,3-8,11,14-16H2/b2-1+/t20-,21-/m0/s1
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| InChIKey |
CVYOHWBMGSIMET-AJLPNKGSSA-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